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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
C -0.8354134974304094 0.3819493104524209 0.8310086377632122
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
C -0.612159641259841 0.43170011597137026 0.8578261165419849
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
C -0.5261964885593188 0.4518910163369604 0.8712074196127706
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
C -0.48594202792816515 0.4574153269921481 0.884613665409525
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
C -1.2266482947031037 0.21688212484711306 1.2467745256078002
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CC(C(=O)O)N
C -1.231322992819699 0.21729431256142956 1.2521034129059863
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CC(C(=O)O)N
C -1.237018492962791 0.21783004890269375 1.2561665985198598
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CC(C(=O)O)N
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13
CC(C(=O)O)N
C -1.2527510065927099 0.21799848336435237 1.2599909486547136
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
C -1.299499164752411 0.21492622168123326 1.2574062968427415
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
C -2.628598560228037 -0.6380125494046425 1.549467900516627
C 2.39402035812266 -0.016032777341354318 1.28917316167247
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
C -2.6219521568945607 -0.6323453537917614 1.532725693859507
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
C -2.2677443747604373 -0.7798539114292679 1.2793593301647799
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
C -0.8852357857716439 -0.6773339603011695 0.014481518381963654
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
C 0.32556077531691185 -0.04188694636271732 -0.48733609997119476
C 1.2612516544602737 1.1309728894797506 0.4332036475113018
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13
CC(C(=O)O)N
C 0.30291509042993825 -0.034568482198838346 -0.49049868918529443
C 1.261044858666419 1.1346360791887253 0.434575327014029
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13
CC(C(=O)O)N
C 0.28147686130248856 -0.02701937822192397 -0.49349848064908014
C 1.2596791582235856 1.1380143273028915 0.4360717851187472
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13
CC(C(=O)O)N
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C 1.2572436560226818 1.1410231931550645 0.43754147663826215
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13
CC(C(=O)O)N
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C 1.2539561789040814 1.1434304580566776 0.4388624437448612
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13
CC(C(=O)O)N
C 0.22692602189034178 -0.003120160833409984 -0.5008636821253122
C 1.2500470673452475 1.1450001166312453 0.4399825246630531
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13
CC(C(=O)O)N
C 0.212228196299733 0.005265408989027418 -0.5024166349681984
C 1.2458729109569608 1.145360143948374 0.4409134991086877
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13
CC(C(=O)O)N
C 0.19920743499829244 0.013841984633890705 -0.5033982176236392
C 1.2417909569318812 1.1441269556709193 0.44161333859525026
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13
CC(C(=O)O)N
C 0.1877540331172665 0.02257948986936676 -0.5037701890459635
C 1.238075753807856 1.140898141206161 0.4421879612353594
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H -0.7202353609084774 0.8081890187228277 -0.6638491125508799
13
CC(C(=O)O)N
C 0.17778324894283642 0.03148540536740889 -0.5034045611605559
C 1.2347842743939257 1.1354723603067094 0.44273432910594107
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13
CC(C(=O)O)N
C 0.16930547301734541 0.04053107842051706 -0.5022311591185822
C 1.231842681383937 1.1280054722114508 0.4432691850949865
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13
CC(C(=O)O)N
C 0.16235715691740138 0.049753959360573766 -0.5001868411579014
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13
CC(C(=O)O)N
C 0.1569017181147535 0.059121677086107154 -0.4973385133243659
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13
CC(C(=O)O)N
C 0.15301602969515382 0.06857269098181225 -0.4935839319880823
C 1.222183019248655 1.0967999004126083 0.4432137680576275
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13
CC(C(=O)O)N
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C 1.2179525458780156 1.0846652077014165 0.442115528339156
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
C 0.1542412512731729 0.10702955774965607 -0.4699505769449216
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13
CC(C(=O)O)N
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C 1.1957817061448974 1.0329860172272791 0.42954013525367224
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13
CC(C(=O)O)N
C 0.16534929548527025 0.12708899539558507 -0.4536944396363824
C 1.1893666163066448 1.0192691953446336 0.424123552882798
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13
CC(C(=O)O)N
C 0.17338072910289898 0.13755678670451663 -0.4447882683118917
C 1.1828959971269613 1.0049103459583393 0.4177171410355244
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13
CC(C(=O)O)N
C 0.18281428705432945 0.1483602342099946 -0.4354360954356399
C 1.1765382019625146 0.9896144714987022 0.41048206933176956
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13
CC(C(=O)O)N
C 0.19348658669390364 0.15941966671562863 -0.4257100148005188
C 1.170438215563867 0.9731158550384987 0.40252898173054813
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13
CC(C(=O)O)N
C 0.20527455114116636 0.17081490265043786 -0.41561951271300557
C 1.1646707663216262 0.9552692948082865 0.3940718702175565
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13
CC(C(=O)O)N
C 0.21792068027987213 0.18254985261446804 -0.40520702841576917
C 1.159303597994921 0.9362902776333664 0.3851966887646743
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13
CC(C(=O)O)N
C 0.2312579299015184 0.19446313858115238 -0.3944431319120445
C 1.1542261443700803 0.9166539610338588 0.3758692387637541
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13
CC(C(=O)O)N
C 0.24507048154999753 0.20654184381889334 -0.3833916372774016
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13
CC(C(=O)O)N
C 0.2590879208643405 0.21867726337788795 -0.37205752134503695
C 1.1451243355384582 0.8781590086743166 0.3556053987901361
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13
CC(C(=O)O)N
C 0.27312255137221386 0.23079428008045472 -0.360477791364025
C 1.141186698797509 0.860711868250927 0.34470580370286386
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13
CC(C(=O)O)N
C 0.28692919141421236 0.2426811301588529 -0.34879444980285834
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
C 0.32415082909291937 0.2755931806031722 -0.3142191024347812
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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C 1.2901827071897511 1.1638557238972054 0.2592054203630836
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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C 1.296193306681518 1.1462197610713798 0.23579666208956856
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
C 0.3644819521437049 0.42638480209540797 -0.1358513580376172
C 1.2979723375248908 1.1276478632371112 0.21985659518924344
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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C 1.939861431977051 -0.526865006586274 -0.2510964384677273
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13
CC(C(=O)O)N
C 0.40886823391618227 0.566397882518621 0.752962108886264
C 1.9501865156608367 -0.5301611568524762 -0.25897700862140427
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13
CC(C(=O)O)N
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C 1.961282402534433 -0.5318218028503494 -0.2671904217936046
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
C 0.38907161632533244 0.5791527321565321 0.749338681476825
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13
CC(C(=O)O)N
C 0.3843010246980234 0.5849604828411059 0.7475209779908143
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13
CC(C(=O)O)N
C 0.38029223427676767 0.5915490113105965 0.7453943441465479
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
C 0.3738333233323549 0.607222999656955 0.7405052522713969
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
C 0.3605188892733964 0.6477530695354932 0.7317829959439897
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
C 0.30017542882776777 0.7200468997623112 0.8080470947781837
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
C 0.3117597528314363 0.6761856620800075 0.8479693585775367
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
C 0.31958961885988446 0.6735372997754115 0.8478827039939147
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
C 0.3272863803512326 0.6761769149962303 0.8459308545717661
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13
CC(C(=O)O)N
C 0.33188128113580617 0.6778129648488178 0.844376924867701
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13
CC(C(=O)O)N
C 0.3369322334035886 0.6790056262198594 0.8425007340971623
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13
CC(C(=O)O)N
C 0.3422149978934259 0.6795598423667975 0.8402232611204308
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13
CC(C(=O)O)N
C 0.3477414062843074 0.6794390934041972 0.8375731710983706
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13
CC(C(=O)O)N
C 0.35327546623863 0.6786808066448982 0.8345042455645929
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
C 0.36387981802101377 0.6766653972042516 0.8272293393694535
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13
CC(C(=O)O)N
C 0.36884623860299676 0.6758455720968165 0.8231197031551895
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
C 0.37785056378683374 0.6752903958847771 0.8143673987879543
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
C 0.38545179850835004 0.6764298047275663 0.8054470784409463
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C -0.4396822860694561 0.5817765836984157 1.6947358499209821
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13
CC(C(=O)O)N
C 0.3889047528634673 0.6773266729756818 0.801069287641373
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
C 0.19683915583463737 0.820418052135775 0.23323313725644215
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
C 0.1946158144170195 0.8809774849807716 0.08904206549755034
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
C -0.12047643561281614 0.8670313409021126 0.0994870279936358
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
C -0.14671772058604232 0.9600731927954693 0.15418695259763499
C 1.5436070229101058 0.8084556331723317 1.0581649908236708
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13
CC(C(=O)O)N
C -0.14429610981608168 0.9605411254850691 0.15696640184046773
C 1.533430023369993 0.8070730003388612 1.0495682281679497
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13
CC(C(=O)O)N
C -0.14123183904896405 0.9614039040077759 0.16044901259525138
C 1.5232905633786324 0.8060070427051979 1.0401369506120428
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CC(C(=O)O)N
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C 1.5132002663443096 0.8053486784666288 1.029992117799979
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CC(C(=O)O)N
C -0.13296147511752693 0.9646673326695472 0.16957457613587915
C 1.5032530401343247 0.8051569394867885 1.019299076299426
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CC(C(=O)O)N
C -0.128008526336239 0.9668653136561308 0.1751409400898167
C 1.4936097572990832 0.8055535686357566 1.0080911492820182
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CC(C(=O)O)N
C -0.12289834945416567 0.9692400677657681 0.18117105849762621
C 1.4843357722205113 0.8063216610503029 0.9964698749904236
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CC(C(=O)O)N
C -0.11768199510114004 0.9715312851294488 0.1873950432927225
C 1.4754477500075849 0.8073361796626768 0.9844188362626721
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13
CC(C(=O)O)N
C -0.11259423986719304 0.9735876062791925 0.19365041179410672
C 1.4671983045975785 0.8082059158554958 0.9719647799926218
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13
CC(C(=O)O)N
C -0.10776158731831176 0.9752384956285707 0.19966398149950557
C 1.4597118024029558 0.808583595922581 0.9592827536856293
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13
CC(C(=O)O)N
C -0.10325688442356734 0.9766205971486455 0.20525086632227396
C 1.4531636862096762 0.8082202298115532 0.9464211466237102
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CC(C(=O)O)N
C -0.0990883065325659 0.9777618166339673 0.2102577978070985
C 1.447650851281682 0.8070546747164247 0.9334474009102114
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
C -0.09212496721869708 0.9798932056356985 0.2182064609723084
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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13
CC(C(=O)O)N
C -0.08139361764239864 0.9919718477088919 0.22659111008460958
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13
CC(C(=O)O)N
C -0.07897318640531979 0.998045298511706 0.2278992358659415
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13
CC(C(=O)O)N
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H 2.1134002743149534 -0.12700690547953708 1.705587634154286
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H -0.1045898716906137 -0.3917024036433035 2.245385789452126
13
CC(C(=O)O)N
C -0.07500659623749058 1.0141959142467394 0.23044384954072175
C 1.4247283659847727 0.8123755305963323 0.8307968801063403
C 0.4491597897380617 0.17645658550075322 0.5914667326656255
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H -0.10236838135150106 -0.3997656003929077 2.2418280706496905
13
CC(C(=O)O)N
C -0.07355581421014516 1.0240833273370513 0.2318856725231403
C 1.422974390910119 0.8190941502418047 0.8236050470063743
C 0.4457243672484635 0.17695178065151576 0.5868878199759282
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H 0.592742309721168 2.0345774930896043 1.1363560506717554
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H -0.10036910169933279 -0.40636202596574805 2.2399805526786234
13
CC(C(=O)O)N
C -0.07246671497048807 1.0348001697524931 0.233428588751597
C 1.421125323030995 0.826767074676948 0.8176263982130331
C 0.4417357700233036 0.17646728319531796 0.5828496837984158
O 2.168316056836198 0.4891942774607776 0.06867200861235113
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H 0.5863951990452941 2.0201177007524977 1.112437709344794
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H -0.09868690087248713 -0.41127956145579814 2.239492903530392
13
CC(C(=O)O)N
C -0.0718762357474886 1.0462858851767582 0.23506043070200558
C 1.4192384485579335 0.8351121927634204 0.8128472433116921
C 0.4370907174783162 0.17489204695575078 0.5793157703239455
O 2.1747126832424954 0.4879105974440401 0.0731718638831351
O 1.3312673627502 -1.2207957700936727 0.9118929377067195
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H -0.9548934114404262 0.379622097134645 1.3600113977906239
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H -0.09727090294784405 -0.41488827265865436 2.240221300182399
13
CC(C(=O)O)N
C -0.07192224589717724 1.0583095473066932 0.2367868687812017
C 1.417331609596641 0.8438350186711987 0.8092045947059348
C 0.4316825873075664 0.17218812095587227 0.576298159353214
O 2.181628542847352 0.48622620486489887 0.07709394448706276
O 1.3338569084388452 -1.225911510637897 0.9133367935155448
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H 0.5747427787725392 1.9819141667781675 1.0601676653790473
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H -0.9375640202294193 0.3974182116390521 1.3567800530185772
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H -0.09643539919664174 -0.4173959985321852 2.241628622954269
13
CC(C(=O)O)N
C -0.07264039564924112 1.07054640282611 0.23836429071050194
C 1.4154453550796198 0.8525959551729441 0.8065184884947414
C 0.42541200530552653 0.1682753018894413 0.5737522368199779
O 2.189090619896987 0.48421496963976024 0.08053740068279884
O 1.3359003999424934 -1.2307864608849102 0.91488818099086
N 0.10050268624393233 -1.0348200339109057 1.1130784685493929
H 0.5684437200305998 1.9671589062380135 1.0364729696336301
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H -0.9133958317680073 0.4139715897112818 1.3485966940310266
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H -0.970358331892711 -0.2901989956319794 0.12475517999931125
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H -0.09593307417822092 -0.41913207539783104 2.243441030908103
13
CC(C(=O)O)N
C -0.07410132413695218 1.0827275161305552 0.23951340839360852
C 1.4136327879198807 0.8611301607244158 0.8046738063661762
C 0.41834372935252295 0.16311446427422588 0.5715396510274474
O 2.1970212372402775 0.48189901198354607 0.0836203201036488
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H 0.5617068998701983 1.961319624425642 1.0175844799066485
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H 0.8227440029911525 -0.6359315120360345 -0.5482280445768335
H -0.09537652039944211 -0.42040699845196766 2.244656937974835
13
CC(C(=O)O)N
C -0.07625550249156868 1.0946635328600016 0.24006065164834814
C 1.4119369319133774 0.8694023540193299 0.8034072970098072
C 0.41065970476934993 0.15674398321831037 0.5695497151964795
O 2.205363370520034 0.4793186794004616 0.0864257019679404
O 1.3379976874948079 -1.2398493165333837 0.9182760508556749
N 0.0931101873563701 -1.049125209750971 1.111434188598308
H 0.5547570200370615 1.967772980167196 1.005229642268291
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H -0.8523049176173222 0.44504552992749735 1.3233767831441374
H 2.0747499764476767 1.958945136937108 0.565322198844395
H -0.988759312055464 -0.3181594567941058 0.17813065676047596
H 0.8253164782098715 -0.6394399357313169 -0.5550450426732066
H -0.09482578113402323 -0.4211506593234697 2.2449088712849754
13
CC(C(=O)O)N
C -0.07887172607084383 1.1061507824577526 0.23996722552238717
C 1.4104053084291472 0.8774978094776901 0.8025231221339459
C 0.40246497147438176 0.1492531961038449 0.5676877212733825
O 2.213976673151998 0.47650160251274065 0.08893828666433082
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N 0.09057359258477259 -1.0559136163068732 1.1101327430832013
H 0.5478733873707167 1.9875246408715437 1.000072226749869
H 2.263837880843491 0.0973638088633526 1.5902637200783483
H -0.821165950626663 0.4602713491061055 1.3103803838020367
H 2.0855950831976546 1.9759424442615499 0.5638971971465145
H -0.9906667647314474 -0.330695443334827 0.2079604135929764
H 0.8280933237197294 -0.642656047073035 -0.5610569301194559
H -0.09397230376603301 -0.42191066926241955 2.2438981636638684
13
CC(C(=O)O)N
C -0.08185157838815856 1.1172231701168276 0.23921597374865242
C 1.409082225833629 0.8855300244556632 0.8017747990275357
C 0.39405231494146453 0.14079168291319627 0.5658411482671699
O 2.2227304484736896 0.47356408214417806 0.09122291598724773
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N 0.08897318687212764 -1.0625352630393257 1.1085353535813351
H 0.5410699946097581 2.0190016176671586 1.001016912270888
H 2.274346286443477 0.12181010318838066 1.5702727872027111
H -0.7938673145218865 0.47604073326283664 1.3008191631015422
H 2.096541946995557 1.993507725048003 0.5622247832797945
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H 0.8307556713030838 -0.6454711000104741 -0.5655433624071151
H -0.09240296195886494 -0.4227864407508999 2.2416493174796845
13
CC(C(=O)O)N
C -0.08482473038811546 1.1280154961537807 0.23788270364644876
C 1.4078901181590475 0.893792394812534 0.8011310752918436
C 0.38564203241081796 0.13148844362413387 0.563804678482979
O 2.231548144143763 0.47062753591140827 0.09325797541622181
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N 0.08829156129565748 -1.0690141417352423 1.1067123290191896
H 0.5345034090356405 2.0587621642292526 1.0063413528096943
H 2.286459115820065 0.14448404062544548 1.5532297420736891
H -0.772962438052206 0.4926976275271385 1.2974861070622978
H 2.1067914258569194 2.0087571109835394 0.5604431816715087
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H 0.8331084499266582 -0.6477257750140094 -0.5677486047732362
H -0.09020588856480695 -0.4235737563226814 2.2380026247249605
13
CC(C(=O)O)N
C -0.08749688135501853 1.1386892375449524 0.23611252439614944
C 1.4067490119803936 0.9025062860839193 0.8002861662251108
C 0.37745680919715774 0.12150282243041241 0.5615362124250995
O 2.2402396751538705 0.46772101606499467 0.09515701566448034
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H 0.5282602195091786 2.1019794964183465 1.0136612225140298
H 2.3014456215753363 0.16514786081515626 1.5403471870072027
H -0.7602982177866828 0.5110937495553864 1.302498139840368
H 2.1151297264981386 2.0198457082803905 0.5589444323851415
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H -0.08714736616285976 -0.4246939226336464 2.2332567093319167
13
CC(C(=O)O)N
C -0.08960663731106273 1.1493430990897904 0.23409545231191828
C 1.4055791988686437 0.9117023027168133 0.7991147110197573
C 0.369485258194531 0.11106197523427784 0.5589864632387185
O 2.2487144275078714 0.4649146576609065 0.09696292793936287
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N 0.0899384248344118 -1.0817034730160862 1.1023212340713586
H 0.5222921818135978 2.144064547471941 1.0205542610284177
H 2.3197037540589225 0.18370538662055017 1.5321812377387265
H -0.7564254560879221 0.5312622123446714 1.3165945138209407
H 2.1207787881160547 2.025154398610116 0.5578739364388043
H -0.9760410259541428 -0.382813988694496 0.3270140103324668
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H -0.08337353981897341 -0.42601804716380753 2.227986235105006
13
CC(C(=O)O)N
C -0.09100078541836032 1.1600514173708887 0.2321193514475806
C 1.4042254030461168 0.9214494711033976 0.7975791602121228
C 0.36193874397752995 0.10047150088410275 0.5561181679105649
O 2.2569177567652323 0.4622212947926595 0.09873751105686489
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N 0.09229653861485194 -1.0880330350799343 1.099837449513736
H 0.5166541568934161 2.181092384394862 1.024908829865034
H 2.341043112172814 0.20008073387896946 1.5284940395779278
H -0.7598179351098356 0.5531398227761298 1.3386593147086887
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H -0.0786848679989047 -0.427077802784997 2.222370592651786
13
CC(C(=O)O)N
C -0.09153158706413286 1.1707672172161485 0.23045882142446472
C 1.4026931184098066 0.931683956885319 0.7957133379616657
C 0.3546958965379469 0.08985832207151775 0.5531437189045574
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N 0.09556275485929193 -1.0943566130394664 1.097151612629462
H 0.5113563379267239 2.210152029835924 1.0253221883521006
H 2.364610786379172 0.2149529046793392 1.5286746430369038
H -0.7677548358274578 0.5766900586881728 1.3659823322673148
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13
CC(C(=O)O)N
C -0.09128936173425282 1.1814703601762093 0.22938457657266112
C 1.4010614693913581 0.9423166417685478 0.7934274577137287
C 0.3475905202441741 0.07946463929859104 0.5502203386720627
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H 0.5063406606317246 2.229797731044909 1.0209410506184304
H 2.3890943427629536 0.22839535305970385 1.5310601744590588
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13
CC(C(=O)O)N
C -0.0902921351414935 1.1920134738103947 0.22886389357391565
C 1.3993334105251518 0.9530619963431826 0.7907377767427655
C 0.3404747142275757 0.0695568190527357 0.5474559312665322
O 2.279128871559977 0.45527067074201405 0.1049133330973843
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H -1.0004234769761493 -0.4491939594819067 0.41560467394307876
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H -0.061783032006545044 -0.4278300486271439 2.204436794662732
13
CC(C(=O)O)N
C -0.08851847710669035 1.202316440423278 0.22920269241746735
C 1.3974756310773548 0.9635550877803182 0.7876023650870182
C 0.3331632577710955 0.06028286712371188 0.5449171017147658
O 2.2854525184836088 0.45336644386213165 0.10775689018846799
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H 0.4962609641052369 2.238265022622606 0.9976371345458648
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H -0.05615712129495855 -0.4268404928450528 2.1984869897573596
13
CC(C(=O)O)N
C -0.08605602599482369 1.2121195943827017 0.23033400863770914
C 1.3954300759848297 0.9735944899475374 0.7840601397882173
C 0.3256315926053892 0.05184536361289968 0.5426816899433049
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H 0.4908805748075095 2.228344439363772 0.9796485697263028
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H -0.05099097536958077 -0.4242227278936482 2.1929306181793526
13
CC(C(=O)O)N
C -0.08296623369294187 1.2211973775509644 0.23235719911812744
C 1.3932067610518226 0.9828852288835542 0.7801243790181384
C 0.3178154337824202 0.04429267400143654 0.5407281963893826
O 2.296216541638158 0.45010412957721013 0.11494143469712845
O 1.2917770409058873 -1.2730819586662308 0.9438237183317466
N 0.12220507870633034 -1.1246936560526943 1.0816807999493137
H 0.48532794672311785 2.2121616626402636 0.9586084693404456
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H -0.046151364048567664 -0.42001551971418294 2.187874471857657
13
CC(C(=O)O)N
C -0.07929041477004085 1.2293244156238698 0.23514885961254023
C 1.3907261646964217 0.9912488576887188 0.7757295469196349
C 0.3096507795274776 0.03756886062795359 0.5390372217339996
O 2.300623846481248 0.44872267851372666 0.11937147781849455
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N 0.12818551269381323 -1.130436516015581 1.0782971869173381
H 0.48004231281587834 2.193412421981599 0.9364376268229307
H 2.494017067849019 0.2967181582347152 1.5215812625247174
H -0.7523994437489222 0.7092802503033462 1.4723827431160514
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H -1.0685716519470314 -0.5158419492448496 0.4899071904037809
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H -0.04181872315360897 -0.4146239719566605 2.1833927875704577
13
CC(C(=O)O)N
C -0.07519065511067147 1.236311364116133 0.23856031587214852
C 1.3882045368995093 0.9986220321933044 0.7707875620345344
C 0.3010736259317184 0.03168343506442828 0.5375741069524083
O 2.304307661768826 0.44753115530071924 0.12440301834197474
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N 0.1339439078753519 -1.1359708461504638 1.0748322907249128
H 0.4751680156124806 2.1765298682114045 0.915341442250236
H 2.5073292561497813 0.3127777464453857 1.5092413886251492
H -0.727439563625682 0.7266315166811737 1.4653773736657039
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H -1.0814360573822397 -0.5310371423002233 0.5105007036459982
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H -0.03801245439388816 -0.40807279640090843 2.179036524738719
13
CC(C(=O)O)N
C -0.07076664473104642 1.2419893836097595 0.24242261452268227
C 1.3858407748481802 1.004836210192705 0.7652444313564248
C 0.29210538127878366 0.02663802689298924 0.5362452256575605
O 2.3072592538179717 0.4465605965507657 0.12997702501581276
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H -0.034319485944394684 -0.4007594989481547 2.1745918022413226
13
CC(C(=O)O)N
C -0.0661733573787092 1.2460944228845425 0.24643733802121306
C 1.3839045566840862 1.0099776420646278 0.7590109944825881
C 0.2828721417465488 0.022379610259278968 0.5349338975398942
O 2.309439232795719 0.4459257898449949 0.13606964519184048
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N 0.14402756739436162 -1.146393650254126 1.0676868548046845
H 0.4680087883053525 2.1666903487289657 0.8858963312009749
H 2.5270576835156886 0.3456779557360666 1.4756022905251829
H -0.6632277292419868 0.757826051474854 1.4344797454010618
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H -1.0938115889717641 -0.5591474831497004 0.5552260276086741
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H -0.030749573174131253 -0.39282908928897536 2.169782748335492
13
CC(C(=O)O)N
C -0.06135226424171044 1.248567825355921 0.25035697455765726
C 1.3825584925675023 1.0142632077054066 0.7520096229418556
C 0.27353020349366086 0.018867437142247635 0.533391724924688
O 2.310801290466336 0.4455751972178041 0.1425990950284953
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N 0.1480160458819721 -1.1513308522733785 1.0640626558940915
H 0.4663622614229901 2.179746458353688 0.8805018373979361
H 2.5356517298091923 0.36217349494198653 1.4574306650734188
H -0.6287005607138834 0.7729814590905958 1.4161079517187942
H 2.169239530060029 2.03280115663588 0.5386591408383525
H -1.0938144786855037 -0.5720275315175186 0.5791898278881829
H 0.8972544782936158 -0.6612521603266739 -0.557956239206707
H -0.02706769749605899 -0.3845631952399696 2.164582889811217
13
CC(C(=O)O)N
C -0.056194183589577264 1.2496274695844225 0.2538927486460814
C 1.3818238168251933 1.0178105086575835 0.7441158995836894
C 0.26420299016321763 0.01600530778432593 0.5316682513231497
O 2.311368450650714 0.4455772688559345 0.14940852487101608
O 1.2599182874311854 -1.280481666244442 0.9570576165649868
N 0.1511581821227011 -1.1561429992432921 1.0604405709096192
H 0.4663216606398477 2.205362986169967 0.8816580047020149
H 2.5447913642876148 0.3783852332888292 1.4410720403319783
H -0.5962951388014879 0.7884160977485247 1.4008741596686076
H 2.1813750785070596 2.045755306476305 0.5353755989270992
H -1.0904184646811867 -0.5844430312000038 0.6040292491670652
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H -0.023177425555867895 -0.3764898486797587 2.1585542192855454
13
CC(C(=O)O)N
C -0.050488380979014556 1.2495047588289478 0.2570040148066862
C 1.3815080541233198 1.020775199613698 0.7353552769701894
C 0.25502504646005286 0.013803876283908558 0.5295896925992016
O 2.311161456388094 0.44600008085558646 0.15640122216144597
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H 0.46786423488456985 2.2403456243274866 0.8871939755850827
H 2.5555020587979387 0.39376593825565376 1.4286625398845505
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H -1.0854561892646761 -0.5964771259707496 0.6294800525149055
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H -0.018480021768646465 -0.3684050698621844 2.1515572008822903
13
CC(C(=O)O)N
C -0.043980277112461295 1.248531858189094 0.25959361347939386
C 1.381496939205487 1.0234341753709792 0.7258229628551046
C 0.24622202831583606 0.012246212211503226 0.5270030110367091
O 2.310151523184965 0.44685630496283235 0.16348691376268706
O 1.2544599025854914 -1.2829377650883782 0.960935504674123
N 0.1547809970250439 -1.1655723038280994 1.0532810582272725
H 0.4707032026700185 2.279717344287995 0.8948887894584389
H 2.568576507447523 0.40863415263122926 1.4216116631832365
H -0.549131435821616 0.8222649076790569 1.3948456957849924
H 2.1980252663391204 2.0559304336278763 0.5301591200045508
H -1.0801700939303216 -0.6079137405784864 0.6549031110376247
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H -0.013183536098838175 -0.36074189871342643 2.143727127329117
13
CC(C(=O)O)N
C -0.03648728768814675 1.247063788743659 0.2617665383935453
C 1.381664605935567 1.0259603085532358 0.7155055321617175
C 0.2378401521740847 0.011167641181480826 0.5238879752485923
O 2.308381494009648 0.44810653268450423 0.17059695309258466
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N 0.1551819844121954 -1.1702576026221154 1.0497775805592684
H 0.47442781290304087 2.318281515762313 0.9024049467880234
H 2.584462738707357 0.4229018736768335 1.4212277661884634
H -0.5368494184585303 0.8412468667954338 1.4090176938846013
H 2.2017116097200136 2.0520306123099457 0.5280457520903084
H -1.0763596150393175 -0.6183837792376565 0.6798831841797596
H 0.9288925075814275 -0.6616457129964683 -0.5547015630441546
H -0.0074486205622385305 -0.3525480634502992 2.135228835134849
13
CC(C(=O)O)N
C -0.027969654284971633 1.245404993013415 0.2637773273469195
C 1.381820985630159 1.0284829698136149 0.7045704367236677
C 0.22991676486117485 0.01058161992477045 0.5202682300524241
O 2.3059093579077286 0.44971360523740345 0.17763737965557416
O 1.2527969565257249 -1.285796659845596 0.9645712569515633
N 0.15465712207115154 -1.174900205002161 1.0462598794369184
H 0.478041377484678 2.3514581584279934 0.9077531269664508
H 2.6029889265251436 0.4365195244013266 1.427197891970272
H -0.5314954038517318 0.8616833094600392 1.4341524808075201
H 2.2026078250664938 2.0426129697055715 0.5261000308976314
H -1.075481939193582 -0.6281966194076407 0.7044686696235364
H 0.935777036278986 -0.6587809874967013 -0.5467567390610217
H -0.0009637399221851368 -0.34403607083620136 2.126237514567249
13
CC(C(=O)O)N
C -0.018386025378205988 1.2437094694848785 0.26581441863510563
C 1.3818166279433914 1.0309496827480604 0.6930662049875839
C 0.2223503923087635 0.010585827322496716 0.5163142471165377
O 2.3028751637366183 0.451633638397316 0.18472142962268503
O 1.2534465965531714 -1.287401176512409 0.9663215370471745
N 0.15324897942144536 -1.1794848769696227 1.0427110922949716
H 0.48132745562152635 2.375869376441526 0.9097877728051211
H 2.623369281370084 0.44992949718308883 1.437980051746125
H -0.5311283665966021 0.8833671866799749 1.4667803203806145
H 2.201383714120583 2.0292958472552214 0.5247377080676976
H -1.0785440508790856 -0.6376083959128278 0.7287838401117079
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H 0.0059094284656953065 -0.3354290028869195 2.1172518432906915
13
CC(C(=O)O)N
C -0.007758935568415933 1.2418911639484662 0.2681744471446185
C 1.3815096791255228 1.0333993650575979 0.6811965432759984
C 0.21499858372428773 0.011299691620147819 0.5120991510831654
O 2.299373123310185 0.4538708296557795 0.19189100010414403
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N 0.151019255741134 -1.184125020854003 1.0392294899379242
H 0.48415226254638477 2.389471917476202 0.9075045991973351
H 2.6442900805964626 0.46356540177696515 1.4515190042144708
H -0.5330657358307455 0.905711481992828 1.503172449321546
H 2.1991421116179573 2.0139968367632024 0.5236489584895546
H -1.0858403012691435 -0.6464468819348944 0.7529480537019101
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H 0.01290457526986156 -0.32624186800952415 2.1081197106948544
13
CC(C(=O)O)N
C 0.0037492642082917827 1.2398998414369615 0.27115919150538964
C 1.3807726815384738 1.03576188601963 0.669107599470246
C 0.20775289872940722 0.012908843298984634 0.5076951492641404
O 2.295467012013218 0.4562282750159727 0.19921572302600243
O 1.257522553923517 -1.2908173722394465 0.9694904702397479
N 0.14799195174983473 -1.1887128658203605 1.0358307105153188
H 0.48640924571191524 2.3915114041406804 0.9004706156720994
H 2.664405836113718 0.47751086467141124 1.4652602547903342
H -0.5343289605172414 0.927786557836755 1.539243000607973
H 2.197648201810669 1.9996728254588663 0.522659174752203
H -1.0967529576106707 -0.6545651128464922 0.7771511443866854
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H 0.019912112710860217 -0.3165335604884315 2.098749176658712
13
CC(C(=O)O)N
C 0.01584218290166808 1.2376930106694086 0.2749789306565356
C 1.379582107056398 1.037914187886638 0.656959280852691
C 0.2004843557757267 0.015405759039730698 0.5033682422972575
O 2.2912378610507855 0.4586571074348387 0.2067400628874109
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N 0.1442729739060109 -1.193264726158133 1.032487764155714
H 0.4883816034550991 2.382328680329387 0.8890017732149076
H 2.682766948165449 0.4918610391023142 1.4766597353758708
H -0.532379462900913 0.9487921552405505 1.5706006182705547
H 2.198447194584985 1.9887934198303576 0.5217399131817125
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H 0.026673968816341383 -0.3062142081338953 2.0892887227670194
13
CC(C(=O)O)N
C 0.028495211463450108 1.235271944923176 0.2796555035322898
C 1.377643485926808 1.0397861579945546 0.6448505878879498
C 0.19314946919349218 0.018723561971370442 0.4991615783973864
O 2.2868406331109887 0.460969649239441 0.21454778471811642
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N 0.13994773907525296 -1.1977277486028575 1.0292245644688465
H 0.49039635015102834 2.3637208249991817 0.8739416621529607
H 2.6981121369265244 0.5065352019526987 1.4839878164715876
H -0.5256389426674811 0.9680822796106622 1.5945370550679367
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H 0.033271678156429806 -0.29501888277801486 2.079801358168033
13
CC(C(=O)O)N
C 0.0415454557145985 1.23251646406089 0.285190695181529
C 1.3749416687736429 1.0412307992416419 0.6329112034003457
C 0.18561481390587264 0.022812172349009528 0.49520899108924604
O 2.2823885107323725 0.4631972551605809 0.22263011030663707
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N 0.13505544144775133 -1.2020700217289337 1.025893396236011
H 0.49204817180258326 2.3385395461915772 0.8561655770890395
H 2.709595824970655 0.5217033196527501 1.48579116613505
H -0.5136076432512613 0.9850360321326252 1.6094406538029142
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H 0.0396313554114968 -0.28302226862493424 2.0703361932515945
13
CC(C(=O)O)N
C 0.054796492944214306 1.2292878035644075 0.29144799025045953
C 1.3715750120708428 1.0422760603859822 0.6211120385467725
C 0.17782256323760234 0.02755118465077357 0.49164498820552427
O 2.277995830021016 0.4653217933152704 0.23104631346571364
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N 0.12977621498550992 -1.2062713856366054 1.0224494957395642
H 0.4937744127964784 2.3107813107503303 0.8378102372218186
H 2.717102759725938 0.5374412182114215 1.481761078463941
H -0.49613111758659895 0.9994970967445271 1.6146093690172731
H 2.222540360752726 1.992506413902657 0.5196784335597029
H -1.1513529644866938 -0.6803972690223858 0.8752047528929816
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H 0.0454883233119606 -0.26976177634307413 2.0609786746093883
13
CC(C(=O)O)N
C 0.06807292563075869 1.2253375367316168 0.29819940996280775
C 1.367656927469806 1.0429867629449192 0.6095794329407616
C 0.16968090646280906 0.03262341329119675 0.48849985892063
O 2.273703213118369 0.46732677912340376 0.23962701408051268
O 1.2791692092711429 -1.2993725267041245 0.9764249423562545
N 0.1241997158393895 -1.2102221352997227 1.0189007649553332
H 0.49619613418184133 2.285857526823751 0.8212438084868929
H 2.7211293387761457 0.5537436055647814 1.4723234607943598
H -0.4731215791184404 1.011536538858835 1.6105350709887283
H 2.2369591445847754 2.0042441881436335 0.5192297988240334
H -1.1601712747098316 -0.6850878220507807 0.8998470870557868
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H 0.05113900860578526 -0.2555967021159591 2.051582163338739
13
CC(C(=O)O)N
C 0.08117598809418121 1.2204434212680884 0.30522064461793097
C 1.3634253140223733 1.043511855498455 0.5982612523077896
C 0.16133461433331395 0.037825878845467426 0.4857022183970889
O 2.269581740149243 0.46918746609934103 0.24818775898662182
O 1.2842861198947544 -1.3009893761943334 0.9779243574912879
N 0.11833013615489361 -1.2138591902978622 1.0152386700446012
H 0.49960896788651465 2.2695912109100176 0.8085863778418982
H 2.7223099398495636 0.5703080508824636 1.4587798014429763
H -0.4455600404407679 1.0214508285372048 1.5988825278733882
H 2.2524231097608194 2.017568087158876 0.5188444142732769
H -1.1647016370020924 -0.6888915585565164 0.9245363171382881
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H 0.05660144173260986 -0.2407206677197881 2.041852887599192
13
CC(C(=O)O)N
C 0.09392431622741541 1.2145576967418767 0.31227356255048383
C 1.358974345406128 1.044031370315891 0.5871121944668072
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O 2.265761157990967 0.470878124866404 0.2567142347057703
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13
CC(C(=O)O)N
C 0.10638272092239032 1.207736339532987 0.3190533463515299
C 1.3542893140392858 1.0446604659559073 0.5761474995419253
C 0.14429588582276912 0.047713965358268086 0.4809298891999
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13
CC(C(=O)O)N
C 0.1185540814743697 1.200219541726261 0.3253341639810998
C 1.3494486460619322 1.045637459842669 0.5652671532784489
C 0.13578818379079757 0.05189518394132382 0.4789098066064949
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13
CC(C(=O)O)N
C 0.1304889684670042 1.1924519982475401 0.3309036101875908
C 1.3443976118581933 1.0471211973053838 0.5545630964223427
C 0.12735242001075803 0.05527658653314242 0.47693018017435723
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13
CC(C(=O)O)N
C 0.14227302692214208 1.1848976884750473 0.33566017280728205
C 1.3391467652848448 1.0492112506115243 0.5440452167454737
C 0.11896538011677676 0.05768823244220268 0.4748651408203647
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13
CC(C(=O)O)N
C 0.1540463736515419 1.1779635514353104 0.3395651538750854
C 1.3337262628159392 1.0520751985410084 0.5337800734423929
C 0.11071279060998715 0.05900708096248974 0.4726634761375401
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13
CC(C(=O)O)N
C 0.1658076507654155 1.1720530766614574 0.3427170799899096
C 1.3280461525682874 1.0557261563324927 0.5237580871128965
C 0.10255910287065104 0.05915415882960355 0.4703498789974375
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13
CC(C(=O)O)N
C 0.17734934141474776 1.1673638151910541 0.3454701230824386
C 1.322157629468785 1.0602077489121058 0.5141244037674115
C 0.09446473658010585 0.05815260303179709 0.468013338194704
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13
CC(C(=O)O)N
C 0.18841929261913568 1.1639467047315428 0.34806201333273035
C 1.3160522401395514 1.0654629427118332 0.5049455318292869
C 0.08651173464987687 0.05605022821831265 0.46576689362417545
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13
CC(C(=O)O)N
C 0.19883296652185414 1.1618492790752362 0.3506674899730098
C 1.3097246936532314 1.071278759435977 0.4962909865465144
C 0.07849633073180547 0.0529159445220555 0.463746018515615
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H 0.134100951661498 -0.09694420415798939 1.9613738765881223
13
CC(C(=O)O)N
C 0.2084114891074714 1.1610658591994305 0.3535469349786683
C 1.3033173331541597 1.0775217989175396 0.4881742202727423
C 0.07039416868823505 0.04872155232693989 0.4620354461403736
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13
CC(C(=O)O)N
C 0.21697149456058035 1.1614169448098848 0.3567044087633622
C 1.2969408935531206 1.0841085700513151 0.4805655807368413
C 0.0620431923801209 0.04356316882479201 0.4606709966415812
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13
CC(C(=O)O)N
C 0.22425571360541433 1.1626125019018012 0.3601416721914792
C 1.2908559720608954 1.0908405477979668 0.4734678937741336
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13
CC(C(=O)O)N
C 0.23005429473222888 1.164344781138807 0.36383166757236846
C 1.2854166065964416 1.0974660015472475 0.46676587917041096
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H 0.6509114029864509 2.3378970402894574 0.799229556451879
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13
CC(C(=O)O)N
C 0.23424332087600344 1.1662476035124592 0.367638673536513
C 1.281063415808675 1.1038297364012064 0.4604395568047425
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13
CC(C(=O)O)N
C 0.2367252122695693 1.1681800491616399 0.3715284022337167
C 1.2780696171394927 1.1097591314819784 0.4543653470376923
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13
CC(C(=O)O)N
C 0.23750714222942493 1.1700414306056302 0.3752860906000473
C 1.276635213915485 1.1151411097657378 0.44844406913619106
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13
CC(C(=O)O)N
C 0.23652451585571796 1.1717470103644734 0.3786820725487171
C 1.276891345487004 1.1202581779078573 0.44256102011138715
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13
CC(C(=O)O)N
C 0.23408684946678868 1.1734578771670916 0.38157741563663
C 1.2787973627053666 1.125254860145399 0.43668435605998746
C -0.00242568229811577 -0.017158794620682354 0.46324040808859684
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13
CC(C(=O)O)N
C 0.2304516728388538 1.1754029499439527 0.3837119879463502
C 1.282258157795614 1.1302422648706134 0.43074442269901014
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13
CC(C(=O)O)N
C 0.22583946498164972 1.1777261599774056 0.3849795508404856
C 1.287180645752119 1.1353420327364583 0.42483380934864406
C -0.021997907159502422 -0.041020220069087523 0.4655523820182665
O 2.275499114666786 0.4348805389588342 0.37646395449998854
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H 0.2577190036845772 0.03442473376809271 1.9115290414328368
13
CC(C(=O)O)N
C 0.22046053595260412 1.1805499679136284 0.3853595542844943
C 1.2933170257473101 1.1406548531349328 0.4189207304140037
C -0.03163998380005258 -0.0535517828804735 0.46655541222964275
O 2.2779481527819456 0.43080851340481974 0.38109135951856044
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H 2.69040981806179 1.0232507477396278 1.417146787581982
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H 0.27187602154817153 0.041501095864037836 1.910164377628785
13
CC(C(=O)O)N
C 0.21453671777028033 1.183879607826279 0.38501534201577514
C 1.3004483034564995 1.1463276478008713 0.41315634362394127
C -0.04122654377954298 -0.06633710620580817 0.4674469672356407
O 2.280216086848137 0.426797570082727 0.3856561427712989
O 1.2535740592434648 -1.3027200675973576 1.0044627440007958
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H 0.7937626219111823 2.49633700992987 0.8640045514822311
H 2.688886142106287 1.0520750098684992 1.4315380823068486
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H 0.28673035094240273 0.04703552253134195 1.9088962619724543
13
CC(C(=O)O)N
C 0.20826989718146655 1.187647261745681 0.3844583078470288
C 1.3082560106066927 1.1522405200538477 0.40745748424276496
C -0.05078344032716866 -0.07914715191247501 0.46833412724572115
O 2.2822532709108896 0.4229057186636477 0.390309313016544
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N 0.14077841008252007 -1.2295694868784208 0.8855742772788683
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H 2.686181385748647 1.0802602032521245 1.4455934095188432
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13
CC(C(=O)O)N
C 0.20176097720279298 1.1918135666497047 0.3839785524808702
C 1.316510269167842 1.1582903083881952 0.40198405282341854
C -0.06020535460973347 -0.0918107755218679 0.46911954273542217
O 2.2840829020483815 0.41908973356314205 0.39507011790212615
O 1.2479680432184312 -1.3005586407536385 1.007088894356405
N 0.14304237266205405 -1.2280784568936673 0.8787301291734101
H 0.8289947155507956 2.487118881209001 0.8662256103232687
H 2.6811766276647226 1.1062580554176895 1.4572049606292181
H 0.08825786392741576 1.3718845743945567 1.703570171182183
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H 0.31848436824798837 0.05519567736851305 1.9046452908775808
13
CC(C(=O)O)N
C 0.1951509053538132 1.196264963842783 0.38379728787011935
C 1.324924561923601 1.1643507658801033 0.3966707003232968
C -0.06952667906117599 -0.1041744503101201 0.46981790012664315
O 2.285643558238661 0.41540904469261203 0.40009790950250956
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H 2.6736479136310045 1.129064986970742 1.465418061003752
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H 0.3349681571351591 0.05857099320312508 1.9003264641493862
13
CC(C(=O)O)N
C 0.18858430784345684 1.2008488910721433 0.3841725800647146
C 1.3332615244735448 1.1703129867552424 0.3916236941801285
C -0.0786895595311473 -0.11614614554545043 0.47055860645900505
O 2.2869042608974293 0.41195986755039143 0.40531308436423363
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H 0.8638388029528121 2.4326834903559766 0.8538019936899269
H 2.663386052727977 1.148480151608781 1.4698620580651391
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H 2.385151971365978 1.9309817287223046 0.5583442111028603
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13
CC(C(=O)O)N
C 0.18202224179356888 1.2054523027194464 0.3852021305195282
C 1.341549939554171 1.1759819478174507 0.38676221521336257
C -0.08771762410959005 -0.12766497294034976 0.4714257630106051
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H 0.8813076217680731 2.3952524790656415 0.844696560461524
H 2.650350585110189 1.16417694119976 1.4703967308480008
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H 0.36820754859224625 0.06497184018305605 1.885613201044104
13
CC(C(=O)O)N
C 0.17543601165865705 1.2098412291171647 0.38687963656825775
C 1.349783266654779 1.1810663701717445 0.3820894843049229
C -0.09669098667918527 -0.1387266251732656 0.4723049948989572
O 2.2884432876322007 0.40564285817353907 0.41651596947322006
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H 0.8984241239330979 2.358061164404065 0.8362631480213435
H 2.6341137056182435 1.1762231890523756 1.4670642328454142
H 0.17658197103598172 1.4558050582077002 1.7474773367762144
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H 0.3848187325862252 0.06879272757187184 1.8750336720993048
13
CC(C(=O)O)N
C 0.1688709087528384 1.2138523319514238 0.38908560810935755
C 1.3580354451823446 1.1852868344446048 0.3774755893384298
C -0.10558795208666581 -0.1492635095564263 0.4732997566089592
O 2.288644302089785 0.4029050785500582 0.42251150595843145
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N 0.13978434022087988 -1.2212078470118735 0.8433693046029624
H 0.9153384580512421 2.3277148445346465 0.8306804223293189
H 2.6153914416663158 1.1852201916425682 1.460533577987214
H 0.2037671653352966 1.4692417942766227 1.735170529294506
H 2.4137811290927984 1.9764067420624452 0.5550770159944919
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H 1.421543571047703 -0.4438532115789322 -0.4210528868853857
H 0.4014952511044047 0.0730986030130486 1.862599600906691
13
CC(C(=O)O)N
C 0.1623594281075597 1.2172018147227794 0.3916987882009419
C 1.366489588958851 1.1884711928749876 0.37278582939182464
C -0.11450942554728133 -0.15913796835718402 0.4744182355206435
O 2.2885130663518316 0.40041150783593493 0.4286984008169301
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N 0.1359817409626233 -1.2200538003517079 0.8361374547536023
H 0.9322547198608352 2.310233378727296 0.8302164605532267
H 2.594811001611787 1.1916335724180984 1.4518577413020255
H 0.23203320494032698 1.479632117811306 1.7142623454250465
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H 0.4181823385932949 0.07781488021085509 1.8489308975739709
13
CC(C(=O)O)N
C 0.15598695939716892 1.2198822946571601 0.3944912646975571
C 1.3752118592737528 1.1904515509616764 0.3679482744462354
C -0.12348535881648168 -0.16836370820274063 0.47551722150353937
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H 0.9490120685407184 2.308896101012944 0.8359138125337896
H 2.5731371797490135 1.196261197334094 1.4429774681302447
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H 0.43518284332810886 0.08296884940368074 1.8351885175504896
13
CC(C(=O)O)N
C 0.1497888295011775 1.2218249965827708 0.39736134660568273
C 1.3841817363570617 1.1913610739217244 0.36290101839686983
C -0.13249877907308388 -0.17691053829380848 0.4764883993892731
O 2.2872001070114516 0.39626504826419406 0.44120732601754
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N 0.1258234174442045 -1.2183941458513134 0.8216086294117758
H 0.9661675020725435 2.3235607110506273 0.8472177882640779
H 2.5511085150505375 1.200509044778903 1.4357757826970179
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H 1.4577808037748938 -0.4170330280397699 -0.4021051576648675
H 0.4526447800769404 0.08852333920956398 1.821946759091066
13
CC(C(=O)O)N
C 0.1438480286404332 1.223110903651865 0.4000393154281625
C 1.3933918766060054 1.1914355641202854 0.3575987530304883
C -0.1415544057099724 -0.1846626660900248 0.4773226070816468
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N 0.11972473917442751 -1.2180636564420846 0.8143694940462761
H 0.9841221397283986 2.350485103012524 0.862535473025765
H 2.529761611149475 1.2056983649939619 1.4316636395466187
H 0.31833390288860575 1.4990791942157444 1.6342373118191702
H 2.458237999608906 2.055074329380363 0.5370692571772924
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H 0.4712017816618618 0.09455279371352877 1.8094178527885143
13
CC(C(=O)O)N
C 0.1382831937408307 1.223808252638878 0.40230093059448835
C 1.4027579018406815 1.1910630763811456 0.3521265344478381
C -0.15064130370221224 -0.19161957389302742 0.47794283306043595
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H 1.0027943602757698 2.384095173944537 0.8791910728133572
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H 0.49059657449551886 0.10081615090872416 1.7977021570007654
13
CC(C(=O)O)N
C 0.1332545840538576 1.2240117056085495 0.4040016188539159
C 1.4120630097297169 1.1906920733951385 0.3466001761844726
C -0.15969199463550987 -0.19775034357506097 0.47826043547656855
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H 1.0221632146062785 2.4181182064645323 0.8951130306420183
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H 0.37352202826208536 1.5132278945855158 1.6019961167569101
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13
CC(C(=O)O)N
C 0.1288776126644625 1.2238575878023221 0.40516206615903544
C 1.421138234655269 1.1906095663879626 0.3410534883711208
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H 1.0421274709209962 2.4474977173918804 0.9087647473911266
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H 0.5311587515473658 0.11416166220806945 1.7774067841155285
13
CC(C(=O)O)N
C 0.1253452181965116 1.2233796449451702 0.4058982456275057
C 1.429863894382487 1.190997236286359 0.3356269167570233
C -0.17776919299845928 -0.20745257532112413 0.47789023504874784
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H 1.0627034823259185 2.4683275117165357 0.9186308827751974
H 2.4580757794064496 1.2482784108408003 1.4658111040029083
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H 0.5529266901397532 0.12149522535276513 1.7687299125116336
13
CC(C(=O)O)N
C 0.12270345660611749 1.2225710189891026 0.4063683189300996
C 1.4380730669404143 1.1918703751103983 0.3304407196514707
C -0.18667990549709584 -0.21097259093979762 0.47721650524552683
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N 0.085624802799428 -1.2225303367696547 0.7789577582140355
H 1.0837798845051765 2.4780330006810667 0.9239845468427529
H 2.441935570077741 1.2634960752250395 1.4849129087226527
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H 0.5756894719275203 0.12908500704973022 1.7605259006485872
13
CC(C(=O)O)N
C 0.12098465368752184 1.2214527427287565 0.4066712556696493
C 1.4455078468408455 1.193216964755025 0.3256820429666163
C -0.1955389088953931 -0.21357909667732433 0.4762822468434552
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H 1.1051457321104705 2.475151393602325 0.9244660951240179
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13
CC(C(=O)O)N
C 0.12021010696478282 1.2200658011371086 0.4070994678050394
C 1.4520046993413862 1.1949491410506565 0.32136637163242543
C -0.2041708534520821 -0.2153504935103905 0.4751100814810588
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13
CC(C(=O)O)N
C 0.1204188890278731 1.218324927886186 0.4078144746322238
C 1.457461485390338 1.196847169610528 0.31753630453774195
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13
CC(C(=O)O)N
C 0.12167216072253681 1.2160936499705637 0.408765165494195
C 1.4616872062026314 1.1986203887861164 0.31413247050629356
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13
CC(C(=O)O)N
C 0.12394116442685581 1.213371484157292 0.4100751436933161
C 1.4646716847312824 1.200001303607023 0.3110652727471785
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13
CC(C(=O)O)N
C 0.12696361990058339 1.2100770908343008 0.4116936740803176
C 1.4665156942389799 1.2006907115331482 0.30823955260886843
C -0.23663765714208 -0.21535174456731646 0.469604428874136
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13
CC(C(=O)O)N
C 0.13076122325681774 1.206203448544681 0.4135059857166056
C 1.4673081938429076 1.2005274912492445 0.3054267129639163
C -0.24404819018335383 -0.21390550696922006 0.46838426509460934
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13
CC(C(=O)O)N
C 0.13530511264198652 1.2016572819096385 0.41539382561459953
C 1.4673296210968974 1.199405971824857 0.3025331059962585
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13
CC(C(=O)O)N
C 0.14043882339031208 1.1964898117353624 0.4173547823916858
C 1.4667582716709457 1.1973969950071026 0.2994033248551953
C -0.2581409718241171 -0.2097554061905426 0.4663574672057846
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13
CC(C(=O)O)N
C 0.14619710495225194 1.1906069828642087 0.41919844941571444
C 1.4657605428978722 1.1947885936495761 0.29593418173896396
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13
CC(C(=O)O)N
C 0.15271892566331965 1.1841301842215062 0.4209275829557766
C 1.4644247891838733 1.1920326146282092 0.29225895643758293
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H 0.8657235387951078 0.2241337053911537 1.63796520126319
13
CC(C(=O)O)N
C 0.15995418631757174 1.1772142436945836 0.42258765230352696
C 1.4626856041097858 1.1895315566380258 0.2883730791830855
C -0.2767863575941636 -0.20127625200269322 0.46361093227296896
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13
CC(C(=O)O)N
C 0.167805746868551 1.1697783042796412 0.4242111948709724
C 1.4605159859092547 1.1877000999323162 0.2842778891736896
C -0.28220251876709457 -0.19809229567954945 0.46271630046988804
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13
CC(C(=O)O)N
C 0.1763194937917187 1.1619312411371157 0.42568671597541174
C 1.4578501726681896 1.1866809116430326 0.2799616548311297
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H 0.9571185328508762 0.2556838344383259 1.6276293188362183
13
CC(C(=O)O)N
C 0.1854990133986463 1.1537897534978565 0.42705301857296224
C 1.4547311141896724 1.186545650829254 0.2755043496355691
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13
CC(C(=O)O)N
C 0.1952441927024248 1.1453938842315168 0.42824453363308945
C 1.4510993521967812 1.1872286867428483 0.2709185127854522
C -0.2960961065048503 -0.1882468479822425 0.4593750092542571
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13
CC(C(=O)O)N
C 0.20557663617094557 1.1367484986051446 0.4292640221486196
C 1.4467402419451019 1.1885063508958496 0.2662769368608907
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13
CC(C(=O)O)N
C 0.21632435440667444 1.127811142771636 0.43010207106514325
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13
CC(C(=O)O)N
C 0.2274435255366942 1.1185754742141731 0.4308648193151611
C 1.4353102102357975 1.1917691394576417 0.25755920867780774
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13
CC(C(=O)O)N
C 0.23894544160995093 1.109043356284917 0.43160519251826684
C 1.4278757211133692 1.1930396734013347 0.2535739237951729
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13
CC(C(=O)O)N
C 0.2506862046222012 1.099165174570425 0.4324289536864303
C 1.41940681062363 1.1938258116817757 0.24999833916245526
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13
CC(C(=O)O)N
C 0.26265462200854334 1.0888926188181767 0.433407184433937
C 1.4101766659916601 1.1940254777989574 0.24683573047598867
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13
CC(C(=O)O)N
C 0.2748390202474475 1.07824452069561 0.4347124735896095
C 1.4006287446712533 1.1936821012632837 0.24409040980603905
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13
CC(C(=O)O)N
C 0.287132462295931 1.0672682976915064 0.4363406345692831
C 1.391208765593893 1.1929570216805852 0.24162842480678767
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13
CC(C(=O)O)N
C 0.29941689423630036 1.0560655811172852 0.4382606498145426
C 1.382379859080531 1.19191474713177 0.23946315922243186
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13
CC(C(=O)O)N
C 0.31153826289967945 1.0446009218701728 0.44053061081112765
C 1.3744909542567245 1.1906725465605197 0.23745430085441513
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13
CC(C(=O)O)N
C 0.3232471206698365 1.0328196042220872 0.443117161001176
C 1.3678563379971722 1.189291476587219 0.23551508875261906
C -0.3165424636462744 -0.15755774938988126 0.4490985172402452
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13
CC(C(=O)O)N
C 0.3344138878977357 1.020761921614724 0.44598650008547186
C 1.36262781583302 1.1879448597705817 0.23343995141701684
C -0.31630003419631075 -0.15536312721259374 0.44891028230203595
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13
CC(C(=O)O)N
C 0.34495329396982216 1.0084950532753445 0.44901229537117454
C 1.358884421208379 1.1868318941952776 0.2311062121596926
C -0.3159073816616446 -0.15327342449101336 0.44869284640803586
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13
CC(C(=O)O)N
C 0.35464456851984816 0.9960430288562377 0.45211843861634654
C 1.3566523791999394 1.1861301381634597 0.22825199890084494
C -0.31550728222398816 -0.15120777163489071 0.44849085656339166
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H 1.4654252629315505 0.2713861328402373 1.9460959229702544
13
CC(C(=O)O)N
C 0.36337169124499913 0.9833587248878617 0.4552423295266851
C 1.355801457824298 1.185833102074473 0.22476861087082523
C -0.31502834378017186 -0.1491896964213501 0.4482561024990834
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H 1.4979295294880077 0.2675466130930723 1.9498037599046638
13
CC(C(=O)O)N
C 0.3710182293323518 0.9703923104681664 0.4583856570543767
C 1.355986148788005 1.185889457994696 0.2208289322969488
C -0.3145798970598114 -0.1471949350768446 0.4479391128421172
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H 1.9399233143644088 1.4186003491464363 1.5547711886838593
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H 1.5298089512364412 0.2625606352600553 1.952172819696079
13
CC(C(=O)O)N
C 0.37757802133441 0.9572052374391309 0.46162617604390327
C 1.3567938305800895 1.186222191024076 0.21642918115250248
C -0.3142618570874316 -0.14519554316800792 0.44751668912146403
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H 1.5613648019414093 0.2560853395625198 1.9541378549551462
13
CC(C(=O)O)N
C 0.3829505665645767 0.9437663013238525 0.46495877392010154
C 1.3577601757447786 1.1867318909700852 0.21169147098705898
C -0.3141011565144685 -0.1430861189990383 0.44702450457127985
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H 1.5925896178440246 0.24831722881841858 1.9567229278686689
13
CC(C(=O)O)N
C 0.38712237164484337 0.9300723868529688 0.4684243557853116
C 1.3586072025753202 1.1874768183330944 0.2067557215621048
C -0.31411103950257446 -0.1409166897563157 0.4464786544257328
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H 1.4318045140440216 2.414744022999263 0.7242149727184723
H 1.9928914842433088 1.4740138838128176 1.5744960393132126
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H 1.6234051083461707 0.23959475132905425 1.9607366213783297
13
CC(C(=O)O)N
C 0.39012465036694827 0.9161170200074512 0.47201526933327054
C 1.3593114455969286 1.1884954569043706 0.20175923097899923
C -0.31429050677768566 -0.13875197243372084 0.44591704234508833
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H 1.6539592361161741 0.23027561676194547 1.9672426954185607
13
CC(C(=O)O)N
C 0.39207421180429786 0.9019934681290136 0.47583021633826234
C 1.3601183033898394 1.1898274385093786 0.19676226916194367
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13
CC(C(=O)O)N
C 0.3930911199417906 0.8878101170501791 0.4800418189712872
C 1.3614526587637052 1.1914571562141962 0.19175021999935746
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13
CC(C(=O)O)N
C 0.39329567339142196 0.8736334728274405 0.4847564784650127
C 1.3638202557215355 1.1933535458813327 0.186669212030387
C -0.31617714404235847 -0.13202384300445383 0.4441026756133754
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13
CC(C(=O)O)N
C 0.39278771772749826 0.8594823734139801 0.48997679344542083
C 1.3675711676256257 1.195459355747426 0.18140392485423845
C -0.31725947786234165 -0.12991277223605002 0.4435188856154966
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H 1.3934532524685 2.326910042613329 0.6890786115563851
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H 1.7767791202104686 0.19706536761867166 2.018776557161518
13
CC(C(=O)O)N
C 0.39169997350963404 0.8453730117883607 0.4956815892814638
C 1.372813262417599 1.197678115963578 0.17578507294980958
C -0.3185621077426972 -0.12796207669430845 0.44302965370941144
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H 1.3864168084548634 2.318156163423975 0.6873264996389563
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H 1.8077458095595733 0.19028451798486315 2.0372258750500967
13
CC(C(=O)O)N
C 0.3901199519043116 0.8313870723591514 0.5018419033775754
C 1.379622108974194 1.199873975351132 0.16984233281522895
C -0.3201545927449576 -0.12620331474635718 0.442504344715743
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H 1.8388871669985831 0.18398842455532172 2.055924105851127
13
CC(C(=O)O)N
C 0.3882766617053739 0.8175476516333648 0.5083122392954716
C 1.387938798256318 1.2018683296451786 0.16350816474205132
C -0.3219893061056958 -0.124732946637587 0.4420598727532716
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H 1.8699528568934898 0.178077076969609 2.0739206580143086
13
CC(C(=O)O)N
C 0.38633998596253943 0.8038746998893961 0.5150974921512276
C 1.397595821982581 1.2038405631759013 0.15678131235560078
C -0.32409151253768625 -0.12359735850615805 0.44162240214858534
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13
CC(C(=O)O)N
C 0.3844343391607104 0.7903795938681115 0.5220042477747773
C 1.4083593068178835 1.2058221006993965 0.14967379947062565
C -0.32646505380330465 -0.12282702880513084 0.44121901140535597
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H 1.9320634203444997 0.16686255856215895 2.102904011692692
13
CC(C(=O)O)N
C 0.38256631037899985 0.7771448222770441 0.5288790763802979
C 1.419835214936768 1.2079155736775666 0.14230488251033913
C -0.32907862844659713 -0.12252826475476213 0.44079835766429915
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H 2.0986074164366766 1.5316574292270533 1.4373771603551524
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H 1.9624341500321243 0.16151526707544117 2.11185872602283
13
CC(C(=O)O)N
C 0.3808340319466103 0.7642615858362485 0.5356826813094283
C 1.4315283695896954 1.2101296544564422 0.1346935121946587
C -0.33194336795984736 -0.12271569922550056 0.44024715013328225
O 2.0824159108032614 0.37679001402472734 0.8051852608450544
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H 1.3438190456413754 2.3831433611612516 0.7193106697592366
H 2.1041982835280972 1.5287295713382072 1.4168262873521926
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H 1.991958623700092 0.15598068768274512 2.116411777598369
13
CC(C(=O)O)N
C 0.37944198375281707 0.7517637513980885 0.5423514035912251
C 1.4428814658314946 1.212504470013802 0.12685442603186436
C -0.33510749839041054 -0.12338413017027933 0.43957640255834696
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H 2.02078659006307 0.1503896140977847 2.116423585765923
13
CC(C(=O)O)N
C 0.3784612006677214 0.7396610042585453 0.5487793760382769
C 1.4532698723892121 1.2151107723135823 0.11895679252979556
C -0.33860532810753724 -0.12466450344079626 0.4388571163752349
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H 1.3255615258110227 2.3920275952531576 0.7239011605880228
H 2.1223357839571007 1.5469185800728857 1.4014870452103967
H 0.3278223894666185 1.5153368412241703 1.5531484346707427
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H 2.049317312483427 0.14487322782984247 2.1126830804631154
13
CC(C(=O)O)N
C 0.3778935528385562 0.7279761853914976 0.5549855780250127
C 1.462461797502022 1.2180221096112305 0.11117651191506964
C -0.3424877728677754 -0.12660230618297155 0.4380604296042573
O 2.0667476633349247 0.374859154852447 0.824894927813879
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N 0.08079982802172864 -1.2287687177513964 0.5052510654275076
H 1.3157020925077432 2.3855028360680044 0.7220802063207986
H 2.1345338490408734 1.5674884915282759 1.4054221871345924
H 0.3189101448933469 1.516960436767166 1.5545612441390624
H 2.697731651769195 1.2553668165600655 -0.07375658202081568
H 0.7221845806749212 0.2204555970136329 1.9269246780299722
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H 2.077611547426094 0.139431809822863 2.106329936252322
13
CC(C(=O)O)N
C 0.37789075459752575 0.7167896346528884 0.5609982056915053
C 1.4703248226771222 1.2211336782393902 0.10369308043574424
C -0.3467860936763383 -0.12913760827236268 0.4371346838081863
O 2.060966608616116 0.3728022310202692 0.8318028244321111
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H 1.305624575856076 2.371358860691782 0.7172779489201012
H 2.1480999893849164 1.5929028786082522 1.4144690719707567
H 0.3106924928077745 1.520730323381046 1.5572642978276505
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H 0.7451391531944238 0.2427433890332554 1.9325227133930152
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H 2.105747892310895 0.13408266911387354 2.098525486585113
13
CC(C(=O)O)N
C 0.37844736144774666 0.7062385103145418 0.5668912205179536
C 1.4770048940344838 1.2244334700483683 0.09667447027955894
C -0.3515071335234144 -0.1322762650560507 0.4360778915302707
O 2.0550414797437373 0.3702824877684268 0.8387630427512747
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H 1.2957065835871613 2.351182749606376 0.7102920013602609
H 2.1618586072553416 1.6198603426286347 1.4256068339598957
H 0.30322759820067147 1.5256446271424038 1.5603401183797618
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H 0.966699878449652 -0.3686039995938912 -0.5837405027136944
H 2.1339142465164964 0.1284060844219403 2.0907042762666577
13
CC(C(=O)O)N
C 0.37964349211820386 0.6963575106343908 0.5727495041904132
C 1.4830697131212731 1.2277846590734525 0.09006676129214759
C -0.35674619486270104 -0.13591087742778712 0.4349293580997174
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H 2.1622280248207346 0.12274925177319046 2.0841374929640573
13
CC(C(=O)O)N
C 0.3814956304247733 0.687252029695532 0.5786387973732536
C 1.4889725130517397 1.231002899770841 0.0839262076707582
C -0.3624722663437518 -0.14009746150546346 0.43376475794318653
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H 0.2914428391318317 1.5351607927346147 1.5630505936999322
H 2.8536843010590376 1.1657584219076755 -0.12447513686093858
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H 0.9409009047044323 -0.35753461854537344 -0.5867966145122809
H 2.190966319194583 0.11682030050423582 2.0801927941720697
13
CC(C(=O)O)N
C 0.38399912558405014 0.678824826815355 0.5845331555569807
C 1.4951459992649432 1.2338623531538262 0.07815449126190091
C -0.36862258837185263 -0.14487857380783015 0.43265403889772686
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H 0.28756181773640055 1.5376987320896442 1.5610690108876226
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H 0.9299539446759065 -0.35241489356227235 -0.591616882850184
H 2.220228254365897 0.11036128052869854 2.0791845813822407
13
CC(C(=O)O)N
C 0.38719994143569314 0.6710267294493364 0.5906945997197904
C 1.5018851335476464 1.2361203940561114 0.07262078406427032
C -0.3751756704237234 -0.15022944484924738 0.43149073652699743
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H 1.2546019052044604 2.261483087482729 0.6851969035319497
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H 2.250053519448078 0.10339500620462978 2.0808503440414676
13
CC(C(=O)O)N
C 0.39110395607683607 0.6638681035567656 0.5970530432163825
C 1.5093054436072502 1.2375744542006812 0.06725694618974484
C -0.3820679190432049 -0.156060758626574 0.43032126710643176
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H 1.2415597278992185 2.2525474941150656 0.6862938085803179
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H 2.280261258255574 0.09599091195676372 2.084373447573351
13
CC(C(=O)O)N
C 0.3956962399147473 0.6572790078296816 0.6036117810097407
C 1.5174490793831426 1.23807411295697 0.062008899882001874
C -0.38930640607224254 -0.16227354151492035 0.42907663120296397
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H 1.226829807603197 2.2525356888094845 0.6917064248283652
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H 2.3102598638149736 0.088383693440568 2.0883944209724343
13
CC(C(=O)O)N
C 0.40106566950594497 0.6510938209087171 0.6102716192014959
C 1.5262559055575282 1.2376785437564157 0.05695260566276244
C -0.3968672041318168 -0.16884654143133968 0.4277156367433712
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H 1.2105214949175558 2.2599311157886466 0.7006599291151598
H 2.1908882614170926 1.6662397537769944 1.382958026933582
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H 2.339298259999391 0.08076010926501873 2.0914971907597275
13
CC(C(=O)O)N
C 0.40724037595133 0.645197891212295 0.6169134319654447
C 1.5356728483139896 1.2365108684686987 0.05218859581817358
C -0.40460204913369946 -0.17572385480559613 0.4262835073854624
O 2.0066453016228953 0.36103584021647694 0.8876033505620098
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N 0.04086364553457221 -1.2157219989688732 0.4371579213948877
H 1.192849547788076 2.2717594119617956 0.7116029732436873
H 2.1854839822687615 1.6489301169775465 1.3580821626032185
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H 2.3669062297351005 0.07342868941782732 2.092840553635948
13
CC(C(=O)O)N
C 0.4141260208507299 0.6395207963635018 0.623438792051986
C 1.5454203413915604 1.2347610949647903 0.04777287122047635
C -0.41249951097132065 -0.18289614812975738 0.4247209049926699
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H 1.1742649034829942 2.2849507398261477 0.7229881691235321
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H 2.392415831827335 0.06677986485091812 2.091242556918132
13
CC(C(=O)O)N
C 0.42168133342681524 0.6339935741155865 0.6296519844910172
C 1.554977536637785 1.2326681841647449 0.043715239214667925
C -0.4205068904811426 -0.1902653774395777 0.4232260175202364
O 1.9954920583749547 0.3619610080159064 0.897241463981165
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N 0.03698471197166451 -1.211469209832744 0.4263337903761295
H 1.1555880016805657 2.2956788207275416 0.7334696806782882
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H 2.415628056906517 0.060578102888485474 2.085448866719471
13
CC(C(=O)O)N
C 0.42993294968124507 0.6286836414048512 0.6355196776942139
C 1.5639234411297256 1.2304693706529561 0.03989807006366323
C -0.428678930737315 -0.19779991368401942 0.4218017347547008
O 1.9898823842237041 0.36207175280723025 0.9019597172214107
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H 1.137779251525727 2.3014345884879663 0.7414085339716229
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H 2.4362571733479705 0.05464955770560212 2.075678771433249
13
CC(C(=O)O)N
C 0.4387114996329791 0.6234054827262443 0.6411169608530269
C 1.5718570560367355 1.2283207351327614 0.03632590435906368
C -0.4369374938056791 -0.20542576940069013 0.42037542947568635
O 1.9841564881598202 0.3617234334634561 0.9066719282140376
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N 0.03406571506638843 -1.2069140671894816 0.41607559579720177
H 1.12096248422645 2.30048832302832 0.7460759336594875
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H 2.4547649973570405 0.04896114037440287 2.0627948282251634
13
CC(C(=O)O)N
C 0.44797986374811094 0.6181740925653413 0.6464528095533948
C 1.5783601546689106 1.2264477796942024 0.03289802784314278
C -0.4452953718414716 -0.2131661892285799 0.41891030283136776
O 1.9782767745471017 0.3607396930027343 0.9115956894118108
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N 0.03296280523809389 -1.20443222888832 0.41102835478339617
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H 2.471371572148616 0.04335579989598648 2.0477742726454378
13
CC(C(=O)O)N
C 0.4577197431774789 0.6130632509430377 0.6514820560695447
C 1.5832875319554505 1.2249338426124772 0.029578497569536597
C -0.4537697951321297 -0.22100861626574125 0.4174390764588021
O 1.9722398322691137 0.35918600557751035 0.9168045105437335
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H 2.1903993853976265 1.6349522339806688 1.2816790872300525
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H 2.486939673820721 0.03802877994349842 2.0316034778405605
13
CC(C(=O)O)N
C 0.46782059189175984 0.6080903292026136 0.6562082333620957
C 1.5867183345470033 1.2237050702071177 0.02642803702628128
C -0.4622559160155674 -0.22876598655384017 0.4159392243161961
O 1.966054776784083 0.3572929330520923 0.9221873621644407
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N 0.031509074942145006 -1.1991740251782794 0.4011278861919454
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H 2.201453775206163 1.659814475240205 1.2895000241696355
H 0.2769631179428618 1.56161860866168 1.5008729755608399
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H 2.502216322192128 0.0326487240952521 2.0157619613721307
13
CC(C(=O)O)N
C 0.47824310152722815 0.6034278840616268 0.6606985699448252
C 1.589003488225846 1.2225707823268328 0.02359830255591592
C -0.470866652539338 -0.2364281995781805 0.41443181934276746
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H 2.213382541733587 1.6871850758011186 1.2992746303762897
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H 0.8646985313227361 -0.2576910956888788 -0.6744978403807339
H 2.5178951497967432 0.02681775149953885 2.0014547611864892
13
CC(C(=O)O)N
C 0.488976404464239 0.5989672956096844 0.6650381514200334
C 1.5905849585385652 1.2214748527146293 0.02118758088344453
C -0.4796137208659957 -0.24398264767716757 0.4129640521932193
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H 1.0569024553801274 2.195458050239709 0.7224638061096753
H 2.2242260443949373 1.7134160842211963 1.308244098127349
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H 2.5346381953343644 0.020263087277701066 1.9893536344445912
13
CC(C(=O)O)N
C 0.49993827577589883 0.5947516488837241 0.6692414363474543
C 1.5918412313212238 1.2201144224839853 0.019087028574263105
C -0.4885423020359059 -0.25129705875230696 0.411556953889623
O 1.9482902078617312 0.3526762855509439 0.9375484881573676
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N 0.03093147333091585 -1.1910370618434314 0.3865467976132576
H 1.046959434077032 2.167043776041618 0.7135736969461175
H 2.2325870253912163 1.7358239138340106 1.313997773461229
H 0.27660078226249496 1.5854635852095675 1.4969148509359367
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H 0.8570058716482102 -0.23416139129643088 -0.6656138221124882
H 2.552760718022126 0.012948272647880446 1.979841513371908
13
CC(C(=O)O)N
C 0.511011429484969 0.5908095911123271 0.6733527243627327
C 1.593158978935913 1.2182707225351663 0.017236259263815796
C -0.49762910576689656 -0.25836509791559603 0.4100999653839872
O 1.9434110359747163 0.3523005995622092 0.9420167325965342
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N 0.031044632125673776 -1.1885502378361938 0.38179323660679754
H 1.0366650128074895 2.143509004631008 0.7057970595438048
H 2.2374475932826297 1.7520998219188513 1.315519828908895
H 0.27719060031457615 1.5883552043251978 1.494319901670063
H 2.972433315949435 0.6898493937318707 -0.07519810704296938
H 1.2257864852189946 0.6574572865710427 2.1003580413741534
H 0.8541058611595058 -0.22181408998121804 -0.6617342546003789
H 2.572440863310092 0.005141382143559612 1.972721044157709
13
CC(C(=O)O)N
C 0.5221385938970723 0.5870840807622401 0.6774316553651503
C 1.5949320772921156 1.2157200219912934 0.015602152577688032
C -0.5069865673223248 -0.26516120527139403 0.40865570353440944
O 1.9393280704435123 0.35271547984349566 0.9461080079915773
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N 0.031317108337218645 -1.18621276218698 0.37702011632807636
H 1.0257833521530504 2.1277304919443454 0.7001064949837384
H 2.2379743256253457 1.76086132398663 1.3118033174737347
H 0.27755880834998364 1.5880983622144413 1.4911931571479673
H 2.9899172630726376 0.6642716341808156 -0.07879631825775547
H 1.2484386296027472 0.6797232879324495 2.1143443302511646
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H 2.5931009029903107 -0.002998534213407797 1.967263452656419
13
CC(C(=O)O)N
C 0.5333572084177909 0.5835327083071098 0.681359781100585
C 1.5972991771500287 1.212396628558176 0.014181451815344824
C -0.5165775166709073 -0.27166471936417347 0.40728112425359636
O 1.9361969737130744 0.35396119180943914 0.9498324339621115
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N 0.031726578945172106 -1.1840469803066511 0.37233336356726604
H 1.0141283584176646 2.121570467256828 0.6971023947395227
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H 0.27743139972757463 1.584498004422838 1.48809742030529
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H 2.613783044848911 -0.010961722359473333 1.9625389992041
13
CC(C(=O)O)N
C 0.5445957552022052 0.5801693576665349 0.6851291535533582
C 1.6002548751393229 1.2082600405704218 0.012958394030694835
C -0.5264062476346691 -0.2778541116216932 0.4059723199093633
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H 1.0014887016286815 2.125353500505736 0.6960694113304224
H 2.226245942202273 1.7549588159229788 1.287432070806514
H 0.27670540136034827 1.5774875923946703 1.4860254449950467
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H 1.2919180900427274 0.7255682184349399 2.1417914631431665
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H 2.633358159505273 -0.018716501260631922 1.9572845102228427
13
CC(C(=O)O)N
C 0.5557985089984082 0.5769680595079704 0.6887071240186726
C 1.6037602262759352 1.203621999877313 0.01187310826659164
C -0.5363761177791787 -0.28373307257015284 0.4046682992848736
O 1.9330085378612951 0.3590243117924805 0.9571872776469023
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N 0.03294804726881056 -1.180371083798364 0.36309272008446786
H 0.9880065622961278 2.1376283603734914 0.6963345561127261
H 2.215698956454704 1.7422370666234988 1.2683324759592698
H 0.2751742325165397 1.5678762065643468 1.4852633846611298
H 2.971457578131779 0.5955590844538561 -0.05791508246189862
H 1.3132732424130875 0.7481140707401681 2.152345101784166
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H 2.6509248259328912 -0.026206123543098085 1.9505297134102477
13
CC(C(=O)O)N
C 0.5669403449734265 0.5740277122776333 0.6920596723705171
C 1.6075761241669257 1.1985587864415361 0.010867562904239087
C -0.54648942667682 -0.289307226288941 0.40347288971253703
O 1.9329837279653472 0.3625836874912533 0.9610136373105463
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N 0.03361850569982734 -1.1788792712539198 0.3584045692804528
H 0.9745317600582657 2.1558490320914903 0.69708194802389
H 2.2032541522260933 1.7259352561768588 1.2468498242984725
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H 2.665971075679 -0.03314683219462874 1.9414652781224195
13
CC(C(=O)O)N
C 0.5779370615281958 0.5714832193426677 0.6952340884483486
C 1.6113518921897354 1.193176485758141 0.010027598407559285
C -0.5567835527920932 -0.2946702275276006 0.40233856841703586
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N 0.034342133984860454 -1.1774984949610399 0.353699389758623
H 0.9617200749835509 2.1766803575233604 0.6970432064484894
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H 2.678081104424285 -0.03928667819274301 1.9295900574247993
13
CC(C(=O)O)N
C 0.5887942857779338 0.5692920482342335 0.6981461822217185
C 1.614572948538565 1.1877607454618875 0.009232647935975544
C -0.5671498238913808 -0.2998123170744653 0.4012938184259707
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H 0.9502282594690683 2.1964092463911937 0.6957258490659519
H 2.1790364592435427 1.6967245365589785 1.2057158901951002
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H 2.6872188732130544 -0.04443568521209871 1.9153962460374636
13
CC(C(=O)O)N
C 0.599429240622896 0.5674374026867216 0.7007052224774089
C 1.6169410749848652 1.1824675245519252 0.008311011662463452
C -0.5775837896003059 -0.3047488817192084 0.4002771924970832
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O 1.2693202543577606 -0.7411304960931138 1.0568220870503853
N 0.03584840596527671 -1.1751008679963937 0.3442124187151728
H 0.9404195114566978 2.2120891890248755 0.6923198314480596
H 2.170685892100817 1.6914683037412246 1.1909239805963796
H 0.2657142461730484 1.5130379797060491 1.4953929638798475
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H 2.6944349918025896 -0.049272439295620786 1.899692609672054
13
CC(C(=O)O)N
C 0.6097875975097103 0.5659822454207583 0.7029389060520714
C 1.6181245501884391 1.1774672246785427 0.007167062631720533
C -0.5879721678727226 -0.3095467167488959 0.3993201369527621
O 1.9413290850242273 0.38018203346900964 0.9794784144369758
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N 0.03656774313499041 -1.1740604443225282 0.33946871982673926
H 0.9329559645376534 2.221549027175885 0.6861763850939923
H 2.166645537491923 1.6962656825622853 1.182272303536768
H 0.26400818619803085 1.4982874619450515 1.5003520940237711
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H 2.700504407531369 -0.054203797981775374 1.8838347484159994
13
CC(C(=O)O)N
C 0.619811088585688 0.5650286956855302 0.7048492892186168
C 1.6179337517022843 1.1728726166395875 0.005696021582130463
C -0.5982914190628877 -0.3141681692436807 0.3984184960575877
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N 0.03719561845008685 -1.1730745532699802 0.3346951470064346
H 0.9281947642548548 2.2231556753254127 0.6770328014657366
H 2.167000723836523 1.7123491376908613 1.180044504119484
H 0.2624154311442948 1.4841419013641555 1.5061117988881165
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H 2.706426107652754 -0.05947987659411425 1.8688615716424373
13
CC(C(=O)O)N
C 0.6293692750036195 0.5645335304629515 0.7063314952890878
C 1.6164219836546097 1.168801506024155 0.0040423554948157475
C -0.6085724281122118 -0.31879285898722703 0.39755134036561546
O 1.9484374568211762 0.38938972468844946 0.9916504624580903
O 1.2551198551381093 -0.7358584985916352 1.0594499457574773
N 0.0377798642620581 -1.1720273940068444 0.32982931629948775
H 0.9263196219628752 2.2162957633132514 0.6653104885433166
H 2.170971076053804 1.7384322074004324 1.1830312785519816
H 0.26087121375473954 1.4711004557986198 1.51274376577109
H 2.8261159524468242 0.45050286811171447 0.018316539421320836
H 1.462175753235968 0.8796592304812382 2.1362409322706184
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H 2.7136300788735706 -0.06559558809785165 1.8556988294030952
13
CC(C(=O)O)N
C 0.6384425656432992 0.5643342940515459 0.707221896428148
C 1.6137253044524675 1.1652401677613464 0.0023701543569727116
C -0.6186843486976403 -0.32341637727628186 0.39673476116561845
O 1.9525985728633097 0.3942310521793859 0.9983387690217497
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N 0.03826297791842634 -1.1708835181081674 0.32486473103727137
H 0.9272733032122176 2.2014863267700018 0.6511789056610919
H 2.1772116412707945 1.7714075422583198 1.1893920814419965
H 0.259186650644838 1.4593109581450872 1.520451072688561
H 2.8451078899679114 0.4236299871651934 0.004688210261113274
H 1.4811236534801389 0.8965651245766814 2.1300904250357826
H 0.8801629857476627 -0.05999936901193505 -0.7311585085824022
H 2.723066752797453 -0.07291975045469583 1.8451732749619265
13
CC(C(=O)O)N
C 0.6470867427810022 0.5644571713602738 0.7075171452337684
C 1.6101471099567468 1.1620613765392473 0.0007431378654465683
C -0.6285981644622993 -0.3280419059599404 0.39596736489380485
O 1.9573788013669735 0.3994052449543891 1.0051816804265603
O 1.2440218185145286 -0.7361006389976875 1.0616843867390915
N 0.038608510093542936 -1.1696328786910994 0.3198251635134706
H 0.9306828486960161 2.1800977441990215 0.6351048028257903
H 2.1841589700031467 1.8073338414635953 1.1968221297872916
H 0.2572430309843761 1.4486027078837331 1.5289968942838046
H 2.870026600173137 0.39560451378705264 -0.013372589643291381
H 1.4986641662072193 0.9142401093047813 2.126185855337127
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H 2.735007626667453 -0.0818604930548997 1.8377541616830664
13
CC(C(=O)O)N
C 0.6553131390547107 0.5649487180361976 0.707240294181569
C 1.6061103194381534 1.159103685631937 -0.0007844929646896922
C -0.6382875875114771 -0.33276176477994296 0.39521105966632913
O 1.9628879776153425 0.4049881353873774 1.0120084775867055
O 1.23806811560863 -0.7372181894663578 1.0629278149461792
N 0.03883420073353713 -1.1682028806225497 0.3147336778941864
H 0.9360476986368131 2.1542878267661094 0.6176145335014968
H 2.1900846116426873 1.842056040776846 1.2033079587654552
H 0.2550668691187415 1.438343369715885 1.5382137167701337
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H 1.5147329979237043 0.9332685238580694 2.125382408956357
H 0.8894969025052775 -0.02949859270786965 -0.734707690581419
H 2.7491162416012758 -0.09240236117170952 1.8333012672562394
13
CC(C(=O)O)N
C 0.6631098723173948 0.5656946384307606 0.7064677402289684
C 1.6019504015819581 1.1561632275872866 -0.0022253816612128777
C -0.6476790177328814 -0.33761022596806467 0.39439276882409163
O 1.9693347640159387 0.4110759589733233 1.0187254948877864
O 1.2318281323382123 -0.7388831981026726 1.064240749283714
N 0.0389165415163088 -1.166614997967724 0.30961732864779123
H 0.9422829965697496 2.127405914568034 0.5998881347832651
H 2.1937115287595126 1.8722905591232035 1.2074521612225322
H 0.25255236595543745 1.4281120859576617 1.5481175609240179
H 2.917037646359024 0.3413941904539038 -0.04930120283098591
H 1.5296630251757166 0.9540309299136002 2.1275094766429206
H 0.8941103164761915 -0.013495530703754633 -0.734360496093611
H 2.764842188609243 -0.10422182635368185 1.8312674163109666
13
CC(C(=O)O)N
C 0.6704455604580264 0.5666198430225056 0.7052877751900051
C 1.5979101862281477 1.1530333806976525 -0.0035552242256909486
C -0.6567610752126517 -0.34261339266757707 0.3935363394119518
O 1.9769058269519915 0.41768898812496175 1.025284228075876
O 1.2253241898173743 -0.7410675723632466 1.0656307709047264
N 0.03887825402546754 -1.1648180103123653 0.3044858125893816
H 0.9476945244796793 2.1037209981820535 0.5831109447948011
H 2.1938929719689337 1.8959348763589838 1.2078721422215442
H 0.2500489367487879 1.4174780542894934 1.558285977501161
H 2.930972855146927 0.31688129593944403 -0.06173747940093348
H 1.544104130884136 0.9761564078800578 2.131666891493073
H 0.8988271404735774 0.002565746146724559 -0.7331491784097923
H 2.7812052444212902 -0.11659750605898185 1.8297786039829462
13
CC(C(=O)O)N
C 0.6773783749736612 0.5676108548352864 0.7037826924670091
C 1.594260061446568 1.1495564938649 -0.004782150134639027
C -0.6655094493173677 -0.3477600523479626 0.3927261696320781
O 1.9856118601124773 0.4247773522806712 1.0316528831613883
O 1.2185994256565014 -0.7437216129774596 1.0670263856287243
N 0.038718773626104354 -1.1628295021334345 0.2994258467564024
H 0.9508369526722726 2.0870033916735307 0.5686816643825314
H 2.19016757357296 1.9112828004680633 1.2038266397832715
H 0.2478692286133745 1.4060546077408163 1.5685607350309332
H 2.9350681041956794 0.2953701094493614 -0.06842997764507784
H 1.558129777636706 0.9994122491194856 2.136812591290717
H 0.9036931167895438 0.018455514490211076 -0.7318647294178146
H 2.7968777314018105 -0.1285056673829514 1.8275261907071725
13
CC(C(=O)O)N
C 0.6838585326651427 0.5686224530657805 0.7020116436625443
C 1.5912024212411242 1.1455356681099065 -0.006019016156889603
C -0.6738992867068698 -0.35300003304210337 0.3918924547971165
O 1.9955786084160392 0.4322130058165726 1.03798940232034
O 1.211733769576903 -0.7467044035816977 1.0684502277590957
N 0.03833773314069332 -1.160646370524733 0.2944631511127353
H 0.9501701357991497 2.080466228427084 0.557603512096264
H 2.1823761359572256 1.91793415859072 1.1953642078530646
H 0.24644380374426741 1.393319278943187 1.578649348169099
H 2.928272101021431 0.27736501239024536 -0.06842365537120446
H 1.5715460449892522 1.023300961427693 2.1413756275221214
H 0.9084580866414376 0.033708409652549 -0.731365168019334
H 2.810639409813379 -0.13973854245696574 1.8234730032699908
13
CC(C(=O)O)N
C 0.6899854167352534 0.5697085304554369 0.7000432284616036
C 1.5887838458995747 1.1408861391626348 -0.0072037731595850675
C -0.6819514857665029 -0.3583427263728134 0.39102800458778597
O 2.0066808636078535 0.43988522545211495 1.044341047302352
O 1.2047434429133377 -0.7499362885540749 1.0698975020487076
N 0.037733882873438894 -1.1582897279213686 0.2895153921524727
H 0.9454090550264138 2.085658477238711 0.5503105400605309
H 2.1712310290274814 1.9161969449889273 1.1831142433859774
H 0.24614456521755904 1.3788710333143954 1.5882807256050966
H 2.910684796316745 0.26306627054727627 -0.0615627268435751
H 1.5846641538537565 1.047550033950411 2.1445793278994874
H 0.9130743722206883 0.04775147320707436 -0.7322232873946233
H 2.8215845051690454 -0.14984061215286876 1.8170193356759605
13
CC(C(=O)O)N
C 0.6957356432797167 0.5706942142358723 0.6979758172888477
C 1.5870449976231233 1.1357180545265713 -0.008445969524353236
C -0.6896904359181104 -0.36386921989643106 0.39013307089316174
O 2.0187637953468913 0.4477762455784219 1.050815708900125
O 1.1976542392113503 -0.7533125611373648 1.0713462753405505
N 0.036904876635604315 -1.1556791851399908 0.284663175106607
H 0.9366425513244002 2.1011467416581806 0.5462135016520796
H 2.1574034895111085 1.9076597931999604 1.1677545902348971
H 0.24685870556618322 1.3629990173969375 1.5973114435847988
H 2.883990602129407 0.25194850154835824 -0.04865286457506046
H 1.5975230139125838 1.0717326253608728 2.1457706556540197
H 0.9173385742383315 0.060490620348564596 -0.7356102208214471
H 2.82971123598542 -0.15896950013558897 1.8084956499827838
13
CC(C(=O)O)N
C 0.7012465492076839 0.5717215648538354 0.6958845864062234
C 1.5856607808095355 1.1301856250534037 -0.009633102710494234
C -0.6971407967294531 -0.36957137717014704 0.3892672466078315
O 2.0316677702145887 0.4558664652210256 1.0573925784592693
O 1.1904526134559217 -0.7568947993244097 1.0728530697469372
N 0.035930998116966956 -1.1528077006721447 0.27988405262334515
H 0.9242800864742164 2.1237157700568146 0.5443184604722356
H 2.1421540059942954 1.8944953773056639 1.1501939797853475
H 0.24910047891227025 1.3457266941241341 1.6055936879151744
H 2.850275424773547 0.24333361481714194 -0.031528825863113515
H 1.6102158647544886 1.0950503455179394 2.1440871011117038
H 0.9214226669105143 0.07178851483731795 -0.7418522364549495
H 2.834648467978635 -0.16692887155170666 1.7979571712452291
13
CC(C(=O)O)N
C 0.7065390281102992 0.5729186002434609 0.6937604811453519
C 1.5843948004900974 1.124486293169672 -0.010645835348371423
C -0.7042910659722422 -0.3754359350541336 0.388429007823524
O 2.0451284974902935 0.4640445867408316 1.064145760129049
O 1.1831303106951 -0.7605748262479493 1.0743738086218948
N 0.03482239081066339 -1.1497576019352183 0.27522393475388773
H 0.9098948281880541 2.149388047620363 0.5436211841677555
H 2.1263824128941806 1.8795042758482559 1.1314119142632078
H 0.25260350181415525 1.3273940801710666 1.6127787547932044
H 2.8131835180883544 0.23607018991516726 -0.012555741263072446
H 1.622427405076893 1.1170042871344001 2.1396037154245957
H 0.9253651132486548 0.08166364450239783 -0.7511374024670763
H 2.837437853509863 -0.17409254488446926 1.7858449909144745
13
CC(C(=O)O)N
C 0.7116582785849738 0.5742198438227248 0.691574026103479
C 1.5829095081176052 1.118718657260008 -0.011496604275603632
C -0.7111118161848935 -0.3814175389476442 0.38763267381939437
O 2.0588754001311846 0.47232116410698205 1.0711725760087325
O 1.1756540180300474 -0.7642696226970268 1.075895479748917
N 0.03363689749791038 -1.1464655906527936 0.2706802081056826
H 0.8950509625964225 2.1739771417631295 0.5432217806348
H 2.111149628304447 1.8664654702528654 1.1128621386916107
H 0.2572591051253529 1.3085625157818648 1.6189333057860293
H 2.776771766596945 0.2280193303094557 0.004989283132413173
H 1.63418201479393 1.1373745994583266 2.13270558078689
H 0.9288126428720385 0.08954766555723295 -0.7631542868186797
H 2.8389874370023893 -0.1809871954742138 1.773146121911324
13
CC(C(=O)O)N
C 0.7165623188652545 0.5757058046068475 0.6893132076428616
C 1.5807537263206903 1.113027957419952 -0.012147778340075268
C -0.717601804429119 -0.38746588923055597 0.3868160453112376
O 2.072655554442684 0.48058474556639497 1.078652813798062
O 1.1680868791429306 -0.7679421898160509 1.07738952647626
N 0.03237776828399728 -1.1430016078169731 0.26620238809036617
H 0.8813299639616127 2.19374653880574 0.5420012934631213
H 2.097907366335408 1.8590985328422656 1.095648476442765
H 0.2628785444929651 1.2902900300959834 1.6247099840224928
H 2.745566579341313 0.21732623216983046 0.01699213260179408
H 1.645237609448709 1.1562394012626251 2.1242371872007064
H 0.9320776363535307 0.09603655237924476 -0.7774904007553419
H 2.840684612598308 -0.18860890074467912 1.7608172692069957
13
CC(C(=O)O)N
C 0.7213677146591935 0.5772620336772688 0.6867034855971657
C 1.5777568854450668 1.1076487407084448 -0.012644899334911353
C -0.7238273911432765 -0.3935421043646438 0.3859795624319101
O 2.0861486624744296 0.48877724940890815 1.086704807579262
O 1.1604552960741878 -0.7715422071141492 1.0788954893241913
N 0.03104700349165023 -1.1393881618080544 0.26181663702945335
H 0.8697336680099308 2.2063302509461478 0.5394965981867597
H 2.0873225233129125 1.8607622469690248 1.0810810891621805
H 0.26897653158213836 1.272793941067936 1.630621344550719
H 2.723786012830157 0.20202181051105372 0.02040166672733224
H 1.655257306373875 1.173692772192536 2.1153455425762546
H 0.9350065378071386 0.10129914351915209 -0.7933977010050992
H 2.843689468194258 -0.19791999857182946 1.7495943410956634
13
CC(C(=O)O)N
C 0.72603709202631 0.5790127253009589 0.6838139112064126
C 1.5737959225674625 1.1025789628860483 -0.013064326304469576
C -0.7297806983887885 -0.3997020251461385 0.385116898661261
O 2.0993407450996613 0.49690426858973347 1.095278516483526
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N 0.029650180414115882 -1.1357045569734834 0.2575643561074765
H 0.8609256123892168 2.2097969845667413 0.5355928205795721
H 2.0798754923565923 1.873484495764933 1.0695344628050272
H 0.27509609142860314 1.256505277859634 1.6373421351549935
H 2.712572561503095 0.18132465089049243 0.013750205368706291
H 1.6640973542406394 1.19016903160815 2.1067947120091604
H 0.9379066310736017 0.10568636048371928 -0.8098002244151477
H 2.8485278972825308 -0.20946706085566108 1.7402891267520897
13
CC(C(=O)O)N
C 0.7306777995452477 0.5809172942724219 0.6806262205324846
C 1.5689262830813109 1.0978903551924568 -0.013477507653607942
C -0.7355997527317121 -0.4058735961353154 0.3842189620544253
O 2.112188103535865 0.504942897201729 1.1042655126277394
O 1.1449287367044647 -0.7785150420274431 1.0816311531028395
N 0.028284825452085792 -1.1319249129138678 0.2534220062113499
H 0.8551043044888816 2.203432563257132 0.5304303164753494
H 2.0754494562445283 1.8966886848601892 1.0605961785889986
H 0.2809776020382869 1.2414118045242426 1.6455164027177394
H 2.710497807100835 0.15527613648469119 -0.0021352988789822363
H 1.6715259344119628 1.205717458175219 2.099337649345809
H 0.9407852793312592 0.10986995204881529 -0.8258557394934303
H 2.855515993936966 -0.22337214644517606 1.7330738580003455
13
CC(C(=O)O)N
C 0.7353869427363596 0.5829110271676966 0.6770900035512133
C 1.5633388923755343 1.093471951016453 -0.013811118583403996
C -0.7412357547747145 -0.41193459447121245 0.3833734956988808
O 2.1246953202548573 0.5128300440435546 1.1134504320342293
O 1.1370780757653982 -0.78190410873309 1.0828593509584512
N 0.026957840970907206 -1.128026312584479 0.2493168279550333
H 0.8522142411650824 2.1876737105097095 0.5241258450792964
H 2.0731293994285407 1.9283235141699167 1.053565714814638
H 0.2865358757707271 1.2276968873742362 1.6551746198088066
H 2.7145733505499843 0.12528552774017354 -0.02435086795897444
H 1.6776096911972078 1.2209872526029872 2.0933894705377067
H 0.9438415038883112 0.1140907174285767 -0.8407784857443361
H 2.864104584542934 -0.2394886144077584 1.7277906100958063
13
CC(C(=O)O)N
C 0.7401817957350849 0.5848913853578205 0.6731793987299622
C 1.5573355484360238 1.089147987160782 -0.013843102074294653
C -0.746731453017948 -0.4179519192502326 0.3825346877867834
O 2.1369751810193134 0.5207456583973069 1.1226052652208822
O 1.129117238385053 -0.7852121752873981 1.0839668534083726
N 0.02573087746808545 -1.124028738144971 0.24526919991749577
H 0.8519360027526364 2.1638044373499596 0.5167419629397499
H 2.0720003643197935 1.9650839153450403 1.047007535846976
H 0.2916377203973648 1.2149677992454861 1.665907714115451
H 2.720846361186719 0.09376187277693078 -0.04949218954192043
H 1.682611118232399 1.2364893076037684 2.089093096846158
H 0.9476330702979927 0.11848206233131404 -0.853855017726552
H 2.873726984505557 -0.2570750092027185 1.7238484947498711
13
CC(C(=O)O)N
C 0.7451965841088892 0.586806146330936 0.669025481963208
C 1.5511655808485854 1.0846850046078842 -0.013588819112145836
C -0.7520759284393767 -0.42393369958231714 0.38171774687340687
O 2.1491103315291396 0.5286649546135092 1.1315133538938973
O 1.121053193979261 -0.7883642897737768 1.0849142624159063
N 0.024741379053150964 -1.1199852957526861 0.24131999757718664
H 0.852981943279146 2.1348220848989854 0.5089822168883955
H 2.0708306405924857 2.0032982007317224 1.0399573497697912
H 0.29656229472977613 1.2032254852297128 1.6775403802461786
H 2.725254524495152 0.06322569305807328 -0.07387716595378123
H 1.686309733330838 1.2523153822567392 2.085916655216264
H 0.9518481413800423 0.12356715219528429 -0.8645537295378372
H 2.8831853255926285 -0.2751507092706895 1.719937823861922
13
CC(C(=O)O)N
C 0.7504524098407759 0.5885319023645312 0.6647010239467942
C 1.5451348883973512 1.0799064697908385 -0.012893391019909977
C -0.7572722916505333 -0.42980538601302143 0.38091597323447357
O 2.1611950998414082 0.5364895494207851 1.140022431136909
O 1.1129899213587469 -0.7912928167472515 1.0857258476185714
N 0.023920666179980905 -1.115842035063925 0.2373537653342134
H 0.8540873073214187 2.104767684982092 0.5016209851203568
H 2.0689378648690266 2.038681766612478 1.0315068824192495
H 0.30173638393390423 1.1921616422945203 1.6896607996222919
H 2.7247567840583033 0.035902651684660974 -0.0944799998922504
H 1.6888135405885252 1.2685552146172283 2.0833091826810395
H 0.9563108433073888 0.12910581436997526 -0.8726105640764859
H 2.891056326084769 -0.292815027180625 1.7148685840566915
13
CC(C(=O)O)N
C 0.7559802081030054 0.5900128822086456 0.6602986494788661
C 1.5396192251030407 1.0746701355404347 -0.011755329515887212
C -0.7623728837752822 -0.43548915625657425 0.3800625891637551
O 2.1732108241109276 0.544239022927097 1.1480116064535797
O 1.1048758510724446 -0.7939300832705554 1.0864324701902168
N 0.023387852415975796 -1.1117344384887753 0.23342484151566179
H 0.8535295884959254 2.077438263902817 0.49547558318003887
H 2.0655720171930927 2.0683172961814784 1.0210070424690274
H 0.30751906835295767 1.180972315815325 1.7013399454856832
H 2.7174051672425605 0.012798796503882612 -0.10928648365644784
H 1.6902123366841841 1.285209146768859 2.080708201465707
H 0.9612336207360166 0.13484454386185246 -0.8779361646561055
H 2.896336397515729 -0.3089666261499293 1.708208643057823
13
CC(C(=O)O)N
C 0.7616068733836855 0.5912138496255893 0.6560061776296707
C 1.53492373108879 1.068778102522953 -0.010278221336584525
C -0.7674767621183362 -0.440994758744676 0.3792337018648968
O 2.185146517878726 0.5518630306095677 1.1553967162344394
O 1.0968464583300825 -0.7962657372077949 1.0870325600513033
N 0.023145352272777572 -1.1077114667894667 0.229583772022715
H 0.8498941449411308 2.057625686357963 0.4910615220119182
H 2.0604630543515783 2.090227026610677 1.0082193724757529
H 0.3144058388544142 1.169178051744409 1.712282770845782
H 2.70193908891233 -0.0045620449122503355 -0.11738457783487401
H 1.6911028105621377 1.301874231686526 2.0771573357601305
H 0.9667129861420203 0.140738716748761 -0.8811404412266057
H 2.8983797308865795 -0.32280717316679525 1.6993780766845314
13
CC(C(=O)O)N
C 0.7674394587796959 0.5919159395791341 0.6519998280155074
C 1.5311435971110479 1.0622193229274908 -0.008645336560594135
C -0.7725446316896574 -0.44625168037538465 0.3784645264959156
O 2.19699423614393 0.5594364115992851 1.1621946516640802
O 1.0888651946342058 -0.7983999182979922 1.0874917747270416
N 0.023152136135989237 -1.103737363550493 0.22585874439246625
H 0.8419339609831085 2.048175227132625 0.4891659336253382
H 2.0533717853389546 2.103192623280295 0.9934841915372551
H 0.322587659255693 1.1565929339486438 1.7219524476794008
H 2.6783841788599 -0.016043779342263396 -0.11830425007122555
H 1.691617777517198 1.3181102364553217 2.0719903902158068
H 0.9725329228461896 0.14694363461748133 -0.8828373026930513
H 2.896937384938076 -0.33382479200020504 1.6881460303765334
13
CC(C(=O)O)N
C 0.7734554398004672 0.5921507523122438 0.6484108455941912
C 1.528401812810022 1.0550467491052522 -0.006867361032207808
C -0.7776923844234981 -0.45128508676107215 0.37770844046908336
O 2.20869212606966 0.5669033201237579 1.1684703604822415
O 1.080988659410746 -0.800229612907022 1.0878368556488764
N 0.02342936708974442 -1.099863207233044 0.22212502983117147
H 0.8289631408194096 2.050035119875895 0.48984805011442656
H 2.0445900555932366 2.1066160447150266 0.9771683336263484
H 0.3323335269949811 1.1428476619024723 1.7302553278268733
H 2.6470793344439087 -0.021891198673321448 -0.1120811901648891
H 1.6919649658175717 1.3342872966434356 2.0649275267873395
H 0.9781433403524454 0.15283300859325943 -0.8835075740996045
H 2.8921110015850733 -0.34224593669468995 1.6743733533544938
13
CC(C(=O)O)N
C 0.7796328504387805 0.5919628241402027 0.6451850356385247
C 1.5267856153046884 1.0474154182786135 -0.0047978602614609485
C -0.7830172880337609 -0.45607505508149904 0.3771108333237854
O 2.2201411451280495 0.5743666844821416 1.17421053702882
O 1.073217316553777 -0.8018237925162379 1.0880704496663518
N 0.023942075361098186 -1.096097649038292 0.2183638768446372
H 0.811503656782074 2.06161436553097 0.49276722205183615
H 2.0343099433614826 2.100853958727524 0.9590680690673107
H 0.3436287387748335 1.1279992591584247 1.737127334624958
H 2.6091282369071744 -0.023019565427444776 -0.09978014181430245
H 1.692201459705081 1.3503967445590763 2.0558406407014096
H 0.9833555998776826 0.1578771504045397 -0.8842238773126422
H 2.884660944503097 -0.34847387602160007 1.6585322028152163
13
CC(C(=O)O)N
C 0.78591373791579 0.5913905637919485 0.6423392784149347
C 1.5261225280202317 1.0396129688382612 -0.002397600030556863
C -0.7884714379298843 -0.46060558797278417 0.37661253541001966
O 2.231163108267263 0.5819086051207129 1.1794714511082192
O 1.0655547897726967 -0.8031545344584028 1.0882333877832404
N 0.02475720384356947 -1.0924528046152864 0.21465987245823306
H 0.7911506480639856 2.079457775667973 0.49697614856536954
H 2.0226382331581414 2.0867932229857584 0.9391296506257896
H 0.3561879010942858 1.112155713546448 1.7423247065570946
H 2.566920624105652 -0.02094282225923769 -0.08314534590711056
H 1.6919285167166471 1.3664514676894304 2.0452689942146307
H 0.9880583938017233 0.16152876349978004 -0.8859689331255274
H 2.8753063158894845 -0.35365353853266224 1.6413748986215566
13
CC(C(=O)O)N
C 0.7921121908611294 0.5905288908842056 0.6399996818503149
C 1.526281966476793 1.0320433558431297 0.00020813544605341702
C -0.7939838486239928 -0.4649660843879622 0.3761726976797883
O 2.241711374261401 0.5895899427609999 1.1844230625562115
O 1.0579099761402642 -0.8042226868338448 1.0883091103773985
N 0.025868852872506815 -1.0889473313484828 0.21099810917144815
H 0.769227684665746 2.0994968089026025 0.5017239863359317
H 2.0099801711468253 2.0663761548339012 0.9177442874194606
H 0.36989690623559834 1.0954565101906073 1.7461938199691525
H 2.522882610380684 -0.017958293627171176 -0.06514602642630113
H 1.6913623629606265 1.3824217166058939 2.033836442165018
H 0.9920448904020872 0.16365415706521597 -0.8892217868349308
H 2.8651905793949837 -0.35890986192737595 1.6239884222444219
13
CC(C(=O)O)N
C 0.7980406079822525 0.5895111960115987 0.6382259777504875
C 1.52695908130379 1.0250539226064441 0.0030109475146706775
C -0.799530994859082 -0.46918316034676005 0.3758977834188334
O 2.2517976498951713 0.5974377812547007 1.189133009225479
O 1.0502670535279797 -0.8050305346546375 1.0882492968149504
N 0.027194529232729265 -1.0856353723985437 0.2072978126865919
H 0.7475402374966392 2.1171382316756486 0.5064255301502214
H 1.9971532452007712 2.042765100239578 0.8953345980866354
H 0.3844701968652237 1.078284576028178 1.7491242313116628
H 2.4802071553883143 -0.017083451751194762 -0.0487189184343164
H 1.690325607887189 1.3981759853956492 2.02263658441312
H 0.9955382973730962 0.16441223435099162 -0.8940477219482557
H 2.8555367501265048 -0.3652571750914321 1.6069897943319462
13
CC(C(=O)O)N
C 0.8036267218363677 0.5883971618724123 0.6369587746172962
C 1.5279040593654218 1.018796416060811 0.005953792038416129
C -0.8051478678899533 -0.47325261629465837 0.3757366685922424
O 2.261331388169992 0.6055189488001782 1.1936542245090647
O 1.0426359523543125 -0.805686971642913 1.088132387693915
N 0.028742822280542632 -1.0824853343563101 0.20362920189508948
H 0.7275730386778619 2.1289514642135554 0.5104091557793471
H 1.9853545661130538 2.020134560496752 0.8726487149547977
H 0.39921245887922496 1.0613508121114679 1.7519435780311299
H 2.4420348060936643 -0.021497651592508965 -0.03672870176937592
H 1.688733061732783 1.4142555268451276 2.012498586557533
H 0.9982423993344415 0.1637394778731568 -0.9008173091289129
H 2.84701410124447 -0.3737893999003924 1.5908166196196167
13
CC(C(=O)O)N
C 0.8087670861649904 0.587182051028227 0.6360854787065252
C 1.5289921976919174 1.0133751783803409 0.008918891106251079
C -0.8108388211634947 -0.47714843774792404 0.3757237731101351
O 2.2703632618829035 0.6138091698821414 1.1981168003337848
O 1.0349691004237191 -0.8062236189094277 1.0879801832108378
N 0.03048160244107531 -1.0794915770490818 0.1999420723836378
H 0.7100174642367537 2.13300716141461 0.5135098488009715
H 1.975213012100412 2.0026077722371776 0.8507532544832938
H 0.41319401554104795 1.045009501173424 1.7559118790398538
H 2.4110774070655774 -0.034265341927947494 -0.03140745086438504
H 1.6863597675656563 1.4307467047179636 2.003760412683665
H 1.0002610892512347 0.16153008876902716 -0.9093259575868873
H 2.839808955257271 -0.3846588468042573 1.5756184907099031
13
CC(C(=O)O)N
C 0.8134223854758339 0.5857328810636893 0.6355909479494998
C 1.529988919026065 1.008849448364089 0.011679652690673413
C -0.8166353308762695 -0.4808292801945764 0.37575836991150213
O 2.2789215643099565 0.6221759337395192 1.2025754476006878
O 1.027229117687743 -0.8065852356257749 1.0878766364452737
N 0.03244990256518313 -1.0766634317189436 0.1962370572972441
H 0.6959501515711887 2.1281994601062233 0.5156660213704425
H 1.9674133139704588 1.993980180012251 0.8303567676341207
H 0.4262265574819547 1.0295549834271043 1.7620100268215149
H 2.3887092484014287 -0.05676176375608036 -0.033931917031243666
H 1.683656780699083 1.4474718747754727 1.9969744828227036
H 1.0015613013494864 0.15826262829417231 -0.9187753393561968
H 2.833796482164618 -0.3980329606329028 1.5614645349506313
13
CC(C(=O)O)N
C 0.8174773261451718 0.5840842738385134 0.635455563175723
C 1.5308986660971795 1.0050877526653195 0.014057731425886129
C -0.8224639466212982 -0.4843552435109124 0.37580133992096293
O 2.2870575348673583 0.6306101987924011 1.2070569369956137
O 1.0194827764561025 -0.8069154803323579 1.0878215365376076
N 0.034582934084282785 -1.0738600944391403 0.19250152417133953
H 0.6851692541788837 2.1140001188270294 0.5168452322847348
H 1.9627007631246671 1.996747888619952 0.8122141460729457
H 0.43799984838450107 1.0152139827208517 1.7706902142754664
H 2.3742891396835972 -0.08895248296875893 -0.0433606347965021
H 1.6804840410172568 1.4641263164409999 1.9918276884833919
H 1.0026638429653152 0.15426538107359727 -0.9277995083383168
H 2.8284767748475614 -0.41382707330749136 1.5477647974975435
13
CC(C(=O)O)N
C 0.82090940694872 0.582226545057788 0.6356963802905863
C 1.531793917339723 1.0018105065285645 0.015958029875862326
C -0.8283491078751858 -0.48775591502789917 0.3759836270980227
O 2.2947804188677257 0.6390293956822154 1.2115321645729102
O 1.011808394639518 -0.8071732969871807 1.0877544184917716
N 0.03696717501967559 -1.0710804822405282 0.18866284882685277
H 0.677108507675239 2.0910146738724316 0.5173664161680082
H 1.9613642505527777 2.0116993902597815 0.7964346191205464
H 0.4482118060259351 1.0020382588292363 1.7819089094889398
H 2.365817606828024 -0.12864153970719688 -0.057799659549772
H 1.6771217833908705 1.4797797809588311 1.9876931325417375
H 1.0037139732264895 0.14989533955733003 -0.9356223000871304
H 2.823107479949302 -0.43066643617495737 1.5338918801217747
13
CC(C(=O)O)N
C 0.8237928062913972 0.5801303869795721 0.6363716727659046
C 1.5330010877011702 0.9987806389040969 0.017390458338858997
C -0.8342264793058072 -0.49103368246236667 0.37621360481042454
O 2.3020498609151105 0.6472676257784443 1.2158815298894026
O 1.004242301626358 -0.8072965521840043 1.0877213938724015
N 0.039500463203511006 -1.068311084963895 0.1847540666922933
H 0.671159645940081 2.060610543663264 0.5169285303522585
H 1.9634270658684725 2.0370008733908365 0.7826916070375163
H 0.45704677781302605 0.9899276005609388 1.79539370304136
H 2.3605296595808425 -0.1728840781357156 -0.07484438339400876
H 1.6737488908712426 1.4943664201462126 1.9836306864087776
H 1.0046638370268384 0.14569712862987563 -0.9412900048212378
H 2.8166667793055065 -0.4467463140121945 1.5193143255006132
13
CC(C(=O)O)N
C 0.8261961805252632 0.5777478258972504 0.6374488613709121
C 1.5348566958667398 0.9958418084589544 0.018381696239402723
C -0.8399615118240582 -0.49424023169466674 0.3765186131353303
O 2.3087664511249764 0.6552630335612207 1.2199467289534658
O 0.9967330110196677 -0.8073468282187869 1.0876889582323095
N 0.04217274502448482 -1.0654685545814708 0.1808813601196948
H 0.6664663985207212 2.0252429684957525 0.516000174559356
H 1.9682959652568206 2.069326827464469 0.7706329276362781
H 0.4648502465992851 0.9787154227186202 1.8105684143535998
H 2.3554561645005947 -0.21813342434953104 -0.09190665350026887
H 1.6708153426186931 1.5075247887708183 1.9788711311169132
H 1.0060076584985396 0.14208466056152788 -0.9441600241794039
H 2.8083871900933945 -0.46077755100300094 1.503343785005526
13
CC(C(=O)O)N
C 0.828301652674749 0.575019029742139 0.639062500565024
C 1.5375265066113974 0.992797797193157 0.019086229658695074
C -0.845553311293853 -0.497485503316836 0.3767850345315747
O 2.3149173556010987 0.6630003767047447 1.2236461954343185
O 0.9894366254508282 -0.8072435843167749 1.0876105312435151
N 0.044893449956552776 -1.062511723085188 0.1769816987075206
H 0.6614967955078755 1.9881944948720487 0.5150195980853661
H 1.974866114989514 2.1049613848980804 0.7596307130766423
H 0.4719696688795006 0.9678620939426852 1.8266898983539468
H 2.348214774177676 -0.2614471089530749 -0.10668002370807474
H 1.668574849649004 1.519118784307045 1.9726539994340606
H 1.00770771520749 0.13892536042913123 -0.9438615200933299
H 2.797553034392346 -0.47170844334872364 1.4858157286499236
13
CC(C(=O)O)N
C 0.8301020809268379 0.5718038056828684 0.641178430925097
C 1.5413903295194729 0.9896195697256013 0.0195484541222395
C -0.8509711846940653 -0.5007070315825879 0.37705809731488443
O 2.3204733712651135 0.6705290480884666 1.2268653118351063
O 0.982340615295359 -0.8070207316384166 1.0875757816136518
N 0.047661303778251424 -1.0594716694852324 0.17300755933289752
H 0.6548578908327576 1.9530601053342116 0.5148914730428672
H 1.9823264522012751 2.139322293691209 0.748790342469199
H 0.4789308938971363 0.9568806458399508 1.8428528647236784
H 2.3369143113379325 -0.30047961217455466 -0.11749667121377559
H 1.6669906527853553 1.5292837937064743 1.9644619963919656
H 1.0096391410208745 0.13618571344907993 -0.9402022840343698
H 2.7837690473485814 -0.4790538557975409 1.4666781243788025
13
CC(C(=O)O)N
C 0.8316998708535119 0.567868177565324 0.6438774198148787
C 1.5467112666531921 0.9863126537120667 0.01985486907021035
C -0.8561562077479219 -0.5038381169698057 0.3772948647813998
O 2.3253932725887876 0.6778644478184727 1.2295454473749896
O 0.9754251294629324 -0.8066697341837589 1.0874818960859651
N 0.05040506560342083 -1.0563022071037687 0.16904650519254064
H 0.6450753802618793 1.9235935013320695 0.5160151664256645
H 1.9894969983814579 2.1680810201138394 0.7376949821224759
H 0.4862826860462296 0.945305658458946 1.8581737147702986
H 2.319931754787814 -0.333383177312246 -0.12298532132077278
H 1.666304011209903 1.53831370560091 1.9540180866555747
H 1.011854561475105 0.1336356114284971 -0.9334612480737313
H 2.7673718522693123 -0.48277944191280797 1.4458809332971934
13
CC(C(=O)O)N
C 0.8332203589992063 0.5632387641868187 0.6472184807119767
C 1.5535216825202922 0.9828889123781537 0.02013205772633901
C -0.8610567455918677 -0.5069644995182355 0.37763020087118393
O 2.3296713274133114 0.6851873649305122 1.2316095792233885
O 0.9686558148487637 -0.8062324896863065 1.0872865388973407
N 0.053101362821445224 -1.0530763230375157 0.165068583830481
H 0.6313229915309465 1.9027184095927445 0.5182841873404085
H 1.995410682315534 2.188468708128581 0.7258391077723299
H 0.49432202113442947 0.9330544522928047 1.871723898879074
H 2.2968790757103803 -0.35987839708666597 -0.12262188470471977
H 1.6665602160192585 1.546424998832487 1.94131636829753
H 1.0143433457183177 0.13098687123284908 -0.9243068773509042
H 2.748677822903247 -0.4837922542381731 1.4236071699708004
13
CC(C(=O)O)N
C 0.8346995695579559 0.5579211256955485 0.6511627857861497
C 1.5618166812459924 0.9793874187875822 0.020385946963485946
C -0.8656784379302617 -0.5101849946864503 0.37796616554174534
O 2.3333398354132213 0.6925520145166445 1.2330479495311266
O 0.9621016477002325 -0.8056523381863613 1.087077478924678
N 0.055697997831723835 -1.0497926564922817 0.161103175934263
H 0.6131930871345309 1.8915403507624111 0.5218699564485952
H 1.9991918905550459 2.198775786789729 0.7131694962517582
H 0.5031058253202139 0.9198599963462408 1.8829621570331692
H 2.267659062160011 -0.3796731896204094 -0.11638896047048744
H 1.6672716687044375 1.554044445396931 1.9269087771925006
H 1.0171615956743798 0.1281525838950034 -0.9132875709300484
H 2.7282561538497405 -0.48298625919505767 1.4001715559688024
13
CC(C(=O)O)N
C 0.8361897062222992 0.5520637851719594 0.6556731202450369
C 1.5715338220463275 0.9758976092512686 0.020795234961139133
C -0.8699031352712889 -0.5134523429047081 0.37828902667857084
O 2.336401087701528 0.7000209836957447 1.2337725713109726
O 0.9557945489387383 -0.8049817256568388 1.0869021431363564
N 0.05797669043203184 -1.0464627059346536 0.1571746711824704
H 0.5914805277864349 1.8887896998325413 0.5268563393718787
H 2.0005926817443354 2.198212191674308 0.6997053068486085
H 0.5124531015576899 0.9053454751064174 1.8915953569447015
H 2.2326797373414897 -0.39332987776802947 -0.104982978748558
H 1.6683057697372377 1.5622808377298225 1.91160914573274
H 1.0201124291937056 0.12482179826552382 -0.901707060324869
H 2.706866703306137 -0.48156022633673856 1.3757331400031712
13
CC(C(=O)O)N
C 0.8376308817155885 0.5458621560806425 0.6607679252542751
C 1.5824701667212695 0.97260390366885 0.021536333343009393
C -0.8737600124444747 -0.5167544088549345 0.3785635275875654
O 2.338854138102991 0.7076332874764443 1.233750741472945
O 0.9497436469293851 -0.804271243566869 1.08681292839423
N 0.05994322774360818 -1.0430268425274272 0.15319376638892657
H 0.5679334395560927 1.8914891984042277 0.5328759567013241
H 1.9997967178864327 2.1870826998496993 0.6854555492396883
H 0.5223172930854347 0.8895905349251415 1.8979717958321545
H 2.193259962948315 -0.40199220038730527 -0.08910347727404434
H 1.669191605466826 1.5715435440911274 1.8959424850988174
H 1.0230243316374288 0.12040359523067429 -0.8905907412610037
H 2.6852169024058234 -0.4809114527718739 1.350528583903937
13
CC(C(=O)O)N
C 0.8390386462997402 0.5395020146248751 0.6663422581135253
C 1.5943572046576793 0.9697257538630102 0.022797438803073278
C -0.8771715717448012 -0.5201366813865792 0.3787636248708819
O 2.3406290472277664 0.7154118219052549 1.2330326630516506
O 0.9439135285326945 -0.803508994106988 1.0868805646776414
N 0.06164127654968301 -1.0395093994556632 0.14903910858608585
H 0.5442790471363593 1.8960277395593848 0.5397770098896648
H 1.9968941866237784 2.166799077923383 0.6703752725466563
H 0.5327301237063637 0.8729266872674963 1.902678989404671
H 2.1511532593400706 -0.4075044180692878 -0.07022043013877861
H 1.6693669317882738 1.582645325392652 1.8808728486171065
H 1.0254636950559717 0.11460315783976346 -0.8811841397956104
H 2.6638560740145465 -0.48234644702073426 1.3250037143016815
13
CC(C(=O)O)N
C 0.8404075006163483 0.533228891389508 0.6723387858176535
C 1.6069698130900223 0.9672708246192583 0.02471989130594493
C -0.8802190350546022 -0.5236254750463202 0.3788918575010311
O 2.3418115637888253 0.7233622254524938 1.231668904468226
O 0.9382740605340026 -0.8027538873162203 1.0870526840571508
N 0.0630118835309429 -1.0358033764803574 0.1447260466743728
H 0.5221271389420061 1.8989176026599468 0.5471133875695254
H 1.9926979966483207 2.1401097461235388 0.6542862535048042
H 0.5432130512292251 0.8555017254210711 1.9058379126794738
H 2.1081491098981258 -0.41201379425436524 -0.05010189285056285
H 1.6684663604306476 1.595848557595365 1.8672250798342533
H 1.0270050996395301 0.10728753145654613 -0.8740837523263721
H 2.643493694608247 -0.48660062779498814 1.299985622082704
13
CC(C(=O)O)N
C 0.841654879805625 0.527246087856438 0.6785721230903243
C 1.6201614070724402 0.9652617117551335 0.027148565459956295
C -0.8828259266288219 -0.527191682527934 0.3790633452549125
O 2.3424910233498286 0.7314408155086689 1.2296718892227383
O 0.9327918834870955 -0.802032906695051 1.0874678482514595
N 0.06390508276415457 -1.0320018154364683 0.1402885066367474
H 0.5030708864386324 1.8977129337509016 0.5545458522261142
H 1.9877229404131433 2.111108851866513 0.6375231244493119
H 0.5531931309030562 0.8379311713379621 1.9086333048549333
H 2.066202228129538 -0.4185474770367491 -0.030749814592550967
H 1.6662140740184501 1.6115683721196903 1.8554220398401502
H 1.0271576534623275 0.09885958727250714 -0.8693513441147231
H 2.6244214024457557 -0.494352708917418 1.2757528403078515
13
CC(C(=O)O)N
C 0.8427866914195309 0.5216838592452633 0.68494237307689
C 1.633624556781328 0.9636227078342232 0.030075185200875786
C -0.8850293725415677 -0.5307674733058928 0.37915833482393274
O 2.342702442379956 0.7395208767719689 1.2271292206154811
O 0.9273644758216284 -0.801297374024759 1.0882062826972803
N 0.06434014455369902 -1.028158117806567 0.13570934650059868
H 0.48824145279196274 1.8905224183384672 0.5620980841160821
H 1.9832572886219504 2.0847048174562364 0.6206197731348719
H 0.5627305304239979 0.8202130451855482 1.9124863136167882
H 2.027830605536997 -0.429232145690964 -0.014219650117190943
H 1.662722761504769 1.629478241539794 1.845781443410656
H 1.0257354381749506 0.08965461532201081 -0.8674756611801506
H 2.606553722983007 -0.5059774572622736 1.2528434543209162
13
CC(C(=O)O)N
C 0.8436525316177956 0.5165820196080955 0.6912968340247548
C 1.6472053049670552 0.9621560972089169 0.03338689146935353
C -0.8869667229072633 -0.5344232168228182 0.3791800053859354
O 2.3425413690943846 0.7476223114460119 1.2241510349358649
O 0.921978878072029 -0.8006433425584896 1.0893558634543505
N 0.06440071444254139 -1.024284049733582 0.13097624170563876
H 0.47794824073345477 1.8763535522155184 0.569696492869161
H 1.9802554976581295 2.0665769961442706 0.6043114711014483
H 0.5712495743751964 0.8027704129581181 1.9182152043604659
H 1.995349760436216 -0.4461820035469437 -0.0022645965294503024
H 1.657799961980973 1.6493923078569859 1.8384871193327634
H 1.023002871862926 0.07989110439630605 -0.8678661783152529
H 2.5896051088845087 -0.5204110402870195 1.2309112181565554
13
CC(C(=O)O)N
C 0.8443106312956379 0.5120741799961697 0.6975920153631187
C 1.6607331827969793 0.9605390037557625 0.03692466570691491
C -0.8885835187808201 -0.5382062240319008 0.3792070707711981
O 2.342015340251795 0.7556293294844746 1.220793579207383
O 0.9166937243267118 -0.8000338284395835 1.0908754107703413
N 0.06397332614323333 -1.0203456583778723 0.12613432392679647
H 0.47201640409167017 1.855039834456227 0.5771322588378383
H 1.9793541390802138 2.061594111868013 0.589451037614745
H 0.5787953795409586 0.7857055692953635 1.926628847693711
H 1.9694076485669698 -0.4705711549298409 0.003604998760671817
H 1.651667885835193 1.6699811131564046 1.8331501800711523
H 1.0192095437771092 0.06983575342546487 -0.869557709612379
H 2.5731638816304034 -0.5366231386774493 1.2100461248072374
13
CC(C(=O)O)N
C 0.8448623757497059 0.5081323588592409 0.703720135270786
C 1.674095884687119 0.9587259950225778 0.040638013107155355
C -0.88986579935992 -0.5421401953699496 0.3792331871816193
O 2.34104384918912 0.7634854471677152 1.2171486604610777
O 0.9114553336705765 -0.7996130584845467 1.0928323100674588
N 0.06309727882142253 -1.0163418892303473 0.12107921286663834
H 0.4702775218888048 1.827873715592292 0.5847965417196412
H 1.9813139922198602 2.071869223200929 0.5761831709378287
H 0.5855751823987569 0.7692868642190226 1.9380745805793977
H 1.950494185837342 -0.502497443238289 0.0029444275670542606
H 1.6444094134589315 1.6905703199198328 1.8287465575461628
H 1.014559780446732 0.05973576201857556 -0.871361553615708
H 2.5572008275529474 -0.553434417069515 1.1905303623932966
13
CC(C(=O)O)N
C 0.8454069306672484 0.5046322799790351 0.709723629800072
C 1.6873658369607698 0.9564992725318312 0.04449961604477131
C -0.8908906672165315 -0.5461087541096875 0.3792174842592566
O 2.339586132533962 0.7711719002326113 1.2131838601978164
O 0.9063610664045157 -0.7994022635506959 1.095321027198547
N 0.06178743004524578 -1.0122616050431092 0.11580405309567658
H 0.4714822469608896 1.796470774586122 0.5924436066549432
H 1.985911841801948 2.096970556579611 0.5643603197429705
H 0.5916322754571607 0.7539480499676079 1.952790447028031
H 1.9378583083390248 -0.5407356716690646 -0.00383433050013853
H 1.6368256584648249 1.7097182265358546 1.8239121468752961
H 1.0089087200991744 0.05016177807409131 -0.8724305137438347
H 2.5410093571603447 -0.5696471904761147 1.1720413982420703
13
CC(C(=O)O)N
C 0.8459978577615709 0.5013553882631565 0.7155911803370619
C 1.7006283231779395 0.9538380467622048 0.048603528572484976
C -0.8915820659023336 -0.5500699063324892 0.3790930725438662
O 2.3376672003858934 0.7788095861338274 1.208936187503101
O 0.90138145619951 -0.799382875679708 1.0983172957232679
N 0.06009844226119131 -1.0081331193665137 0.1102811509851807
H 0.4740440859940898 1.7638117680384116 0.5998902142825288
H 1.9920527676234223 2.1329797876784746 0.5538898223943953
H 0.5972694602941977 0.7394016493237058 1.9703542003736643
H 1.930240882363461 -0.5836175453342455 -0.015593651606931993
H 1.6294319698406006 1.7264252850903223 1.8174776051670034
H 1.0025281165870834 0.04122599420983677 -0.8719909257237914
H 2.524190563406809 -0.5842859448598772 1.1545291937585462
13
CC(C(=O)O)N
C 0.8468092264941229 0.4981321073678829 0.7212846704481307
C 1.7140066005827168 0.9508123928184362 0.053083094184330604
C -0.8920173518374003 -0.554054527132265 0.3789528626482008
O 2.335252346730765 0.786516118919397 1.204382965447622
O 0.8966018675538713 -0.7994264309260536 1.1016789235306823
N 0.05806542936053863 -1.0040183063804944 0.10447024973369726
H 0.4757916729892046 1.7329463016809592 0.6075537266493717
H 1.9989129779750385 2.174375454491284 0.5441233412225152
H 0.6031719477349504 0.7253470373180118 1.989702401896749
H 1.9258575137549183 -0.6290301237530157 -0.030803425386400785
H 1.622453491541421 1.7396674358014912 1.8087524683399383
H 0.995602627462182 0.03292450428974812 -0.8684354869774408
H 2.5065159020329384 -0.5971556140621842 1.137775634263014
13
CC(C(=O)O)N
C 0.8478899466284345 0.49478466523523124 0.7268855549517945
C 1.7275615464246807 0.9476084821327311 0.05807469558763708
C -0.8921737396848315 -0.5579797938495441 0.3788077308823247
O 2.3323148419859705 0.7942514434410561 1.1995198456896388
O 0.8921504365683555 -0.7994931360037667 1.1053612304401836
N 0.05571140142667652 -0.9998852332669128 0.09832106521710057
H 0.47563052248036897 1.7071587224162226 0.6154772019112126
H 2.0057698926391243 2.2149675523747385 0.5346584923253392
H 0.6095997985763584 0.7113729588810006 2.009671472123349
H 1.9225088659772376 -0.675092313840382 -0.04791191695136556
H 1.6159498170598863 1.7493261649557579 1.7968996436701286
H 0.9888082738756924 0.02519076673475529 -0.8617729516934344
H 2.487497139879306 -0.6081618719692005 1.1213493790373308
13
CC(C(=O)O)N
C 0.8493461144385871 0.491182736613406 0.7324111434155847
C 1.7413049518007957 0.9443203076185113 0.06351705793816778
C -0.8920354652695507 -0.5618670629750725 0.37862974784758735
O 2.3289102197658877 0.8020549576030075 1.1943545829753321
O 0.8879959506766124 -0.7995813957000404 1.1093051379114693
N 0.05320281484938929 -0.9957177030177309 0.0919182750187548
H 0.47196714360695935 1.6894914076478065 0.6235808748380072
H 2.0115534087503946 2.2496744234924737 0.5253146894215155
H 0.6169849475899326 0.6970928982229333 2.0291050779281092
H 1.9182690060730714 -0.7202317617199032 -0.06510035111103023
H 1.6100926886939726 1.7557239521806443 1.7819736489371145
H 0.9823252968738069 0.017937883119054837 -0.8517825171011807
H 2.4666482626766033 -0.6168751707739486 1.105067637431395
13
CC(C(=O)O)N
C 0.8512677439960568 0.48725527179118766 0.7378641346274745
C 1.7554633482304092 0.9410710333741095 0.06944184403727856
C -0.8917713143988679 -0.5657159761092992 0.37834911107685143
O 2.3250966138476468 0.8100152913351513 1.1889721730119223
O 0.8841682966000098 -0.7996948569331258 1.1134243565349529
N 0.050528762023500345 -0.9916041277595762 0.08529797184231316
H 0.46439170930964446 1.6811650071928366 0.6317540603628886
H 2.0157118012690285 2.2748601534227837 0.516307721153937
H 0.6255494215120642 0.6827164091730782 2.0462323550778416
H 1.9115011946922258 -0.763310071620453 -0.08095916950195059
H 1.6046787636699507 1.7595940108359862 1.7641914696732752
H 0.9760430852174375 0.010959497219887288 -0.8385943853278552
H 2.443653338466508 -0.62350059346878 1.089041125781569
13
CC(C(=O)O)N
C 0.8536842483105297 0.4829319283089607 0.7433387330641372
C 1.7699966570962706 0.937972223759705 0.07581662642049661
C -0.8913682043305545 -0.5694618423840814 0.3780406923946392
O 2.320899586380084 0.8181528007719552 1.1833096539163845
O 0.8807210653713312 -0.7999220692959018 1.1176708008940361
N 0.04776210920451439 -0.987464245276961 0.0783927610000913
H 0.4527583217000676 1.6817344512086487 0.6400633651570243
H 2.018048115944112 2.2884019987212745 0.5077971338759512
H 0.6353857193374329 0.6677148229683891 2.0603326485688376
H 1.9007917051331766 -0.8028841566045 -0.09401999244644359
H 1.599053663136175 1.762055674792058 1.7443064872323026
H 0.9696755397667912 0.003980947373415084 -0.8226228655693703
H 2.4188192647711104 -0.6285243814096121 1.0730276818894897
13
CC(C(=O)O)N
C 0.8565167988743393 0.4783369825405433 0.7488332278495785
C 1.7847632831070315 0.9350973427405355 0.0825852954946162
C -0.8908623925937458 -0.5731341710174773 0.3777563090630761
O 2.316450305606796 0.826440988948128 1.1772749557874802
O 0.8776224419422864 -0.8002733956743023 1.122063765903166
N 0.04492470190078954 -0.9832776819073863 0.07124135125399679
H 0.4385842700463264 1.6891703804492126 0.6485985290949337
H 2.018512351307984 2.28967761904618 0.49959274633803624
H 0.6466950349632095 0.6519761177008797 2.0708477812739265
H 1.8851166801617767 -0.8383656871697528 -0.1030600785870602
H 1.5928124730879358 1.7643118264394224 1.723552433759481
H 0.963482188950964 -0.003322843008418767 -0.8048711043489454
H 2.3928248360608015 -0.6323516042836109 1.0569213253590075
13
CC(C(=O)O)N
C 0.8596018243967797 0.473637416053662 0.754247298081872
C 1.799617649043297 0.9325671710746057 0.0895785329720939
C -0.8902961798411936 -0.576705239742814 0.3775511238672078
O 2.3119160689037654 0.8347414378597013 1.1710085875990863
O 0.8748115719292343 -0.8006902271446866 1.1265928280457067
N 0.042087140652283604 -0.9790915631867807 0.06385118995305902
H 0.423542325943939 1.7002780241240323 0.6577887921664369
H 2.017265665152535 2.2791213700072683 0.49179830918173423
H 0.6593553097271999 0.6355559268574135 2.0774907916703924
H 1.8642610078138286 -0.869437234084108 -0.1077177668350759
H 1.5852446537632754 1.7680660583195476 1.702668754339665
H 0.9575656076591078 -0.011308078041068372 -0.7864796689099982
H 2.366298493266141 -0.6357799295842523 1.040902912600984
13
CC(C(=O)O)N
C 0.8627917044046917 0.46904059190299957 0.759632821357983
C 1.8144008827231977 0.9304206878769222 0.09661495895307565
C -0.8896953831306413 -0.5802011657969913 0.37734077136278127
O 2.3074241134346227 0.8430237071858377 1.1647183587433028
O 0.8722653815785981 -0.8012043911199744 1.131235969225517
N 0.03929286301224376 -0.9749377281564672 0.05625097803603572
H 0.4094518726070822 1.7114040163963233 0.6671096091351203
H 2.0146523904885676 2.2586635621797577 0.48395876896919904
H 0.6734149049929252 0.6184529956739836 2.080870169817286
H 1.837621329652511 -0.8964677110343047 -0.10814466210726345
H 1.5751822421055133 1.7746448963858803 1.6831623617954548
H 0.9520978414342137 -0.019507987654304268 -0.7688121995036764
H 2.3403302440292904 -0.6397028132970421 1.0245525557244695
13
CC(C(=O)O)N
C 0.8659540425316048 0.464837642507373 0.764933821508365
C 1.8289806012691985 0.9286185920666262 0.10355340266327294
C -0.8891324202330674 -0.5837372306291799 0.3771536263594794
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H 0.3979792926652374 1.7194680880090725 0.6765103173239495
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13
CC(C(=O)O)N
C 0.8689246196847495 0.4611134613969207 0.770134738836107
C 1.8433382276161314 0.92697214194467 0.11008788582751576
C -0.8887982873052568 -0.5872165255674955 0.37704006062318995
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13
CC(C(=O)O)N
C 0.8714702014183481 0.4579040757420568 0.7751887044105625
C 1.8573690912445544 0.9252209554476393 0.11591089710517892
C -0.8886137408720037 -0.590696463631199 0.37699185407686275
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H 0.3871871485361916 1.7186645212494034 0.6955966412160416
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13
CC(C(=O)O)N
C 0.8736427002694276 0.4551193393743385 0.7800206879890537
C 1.8708817323359401 0.9231660405045592 0.12074919791902228
C -0.8885063473132224 -0.5941182917261969 0.37706122836663364
O 2.2929429215039163 0.8751738144787925 1.1422758135857611
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13
CC(C(=O)O)N
C 0.8753987780874825 0.4527977507461861 0.7846499752098759
C 1.8838169218026608 0.9205408451934903 0.12429647190763031
C -0.8885706359255525 -0.5974001082506013 0.3772291159864907
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H 2.258735490091474 -0.6837678349476751 0.9545749746770238
13
CC(C(=O)O)N
C 0.8766794023019611 0.4508656811467359 0.789097435825558
C 1.8961837514346649 0.9172945056748014 0.12635221200230123
C -0.8887636746502987 -0.6005367719320868 0.37750895646167193
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13
CC(C(=O)O)N
C 0.877612168797903 0.4491753518639114 0.7932935382962105
C 1.907879719121754 0.9135659460995736 0.12685518065534737
C -0.8890316340573776 -0.6036243899743439 0.37784989424377874
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H 0.41631427373742785 1.6511370225491755 0.7352626783027466
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H 2.260494134942014 -0.7135523859191791 0.9380931868116358
13
CC(C(=O)O)N
C 0.8783430995586096 0.44748155997495287 0.7973315457819778
C 1.9189681977965547 0.9095721798355683 0.12582989129595526
C -0.8895147243369474 -0.6065767631123569 0.37828294401588397
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H 0.42790661862718693 1.6308080884279672 0.745423167821627
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H 2.2662895190463055 -0.7279915876227194 0.9322493830273492
13
CC(C(=O)O)N
C 0.8789867490426324 0.445486956544717 0.8012763955987547
C 1.929483169611855 0.9055958074627382 0.12322017928301104
C -0.8901321529221691 -0.6094212259802498 0.37889428362000993
O 2.2874217384823896 0.9120870820435918 1.1364211030891633
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N 0.01385398184032754 -0.9430423385967636 -0.0168870865337008
H 0.43783900732076075 1.6147442595120511 0.7553337709613651
H 1.9923321187341547 2.253210227526011 0.38245654993937417
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H 2.2727434263825113 -0.7409733668130114 0.927276273110262
13
CC(C(=O)O)N
C 0.8796955173020184 0.4430219429228122 0.8052242313385195
C 1.9394302269368682 0.9017727493274358 0.11921367527379505
C -0.8907959775485252 -0.6121607991893439 0.37966069240542827
O 2.2878181643161115 0.919762278221414 1.1391117301182176
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H 0.4443380488112044 1.605675816361189 0.764779606539149
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H 2.277888466606847 -0.7516078771551546 0.9230484428995233
13
CC(C(=O)O)N
C 0.8805034188925578 0.4398694691595377 0.8091384415605462
C 1.9488000057790247 0.8981646973729576 0.11397542786184496
C -0.8915078963883923 -0.6147448852829911 0.3805346595092101
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H 0.4462326727923273 1.6051126688001545 0.7733115823908953
H 1.9862445622855436 2.30253312626203 0.35980587340253445
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H 2.2797381505577254 -0.7593293319199218 0.9191237836038029
13
CC(C(=O)O)N
C 0.8815719603217212 0.4359520761773627 0.8129702970091143
C 1.957612935780869 0.8949781333836695 0.10762724238681336
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H 0.4426101995709387 1.6128753687454764 0.7805036973475389
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H 2.2774050079641617 -0.7634943999496195 0.9153628034394613
13
CC(C(=O)O)N
C 0.8829875391597536 0.4313196539525977 0.8167238290584573
C 1.9658725436538806 0.8922099298631316 0.10038248608497748
C -0.8929698169519841 -0.619623445255806 0.3827832783524713
O 2.291157100303566 0.944377494341259 1.153196418186507
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H 0.43403137944356923 1.62701211298046 0.786062547675482
H 1.9773940449461649 2.3096166920311902 0.34465658273347266
H 0.8689522081921597 0.42763256428155744 2.211618883107528
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H 2.270369688116435 -0.7637590849074096 0.9116328321288514
13
CC(C(=O)O)N
C 0.884648443879133 0.42612779532534545 0.8204000664658165
C 1.9735147612517325 0.8897509949710809 0.09237570908552925
C -0.893654157088545 -0.6220371024681547 0.3840664303927332
O 2.2927775551014538 0.9529645780569351 1.1593452158228121
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N -0.0023430153217785664 -0.9277696414910085 -0.05937996061204298
H 0.4214095013958662 1.6446528559190712 0.7895456593651967
H 1.9721102308897103 2.2955044134211167 0.34010317465531453
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H 2.258260024231596 -0.7598632399890513 0.9080287348405951
13
CC(C(=O)O)N
C 0.8864592898476833 0.4205462208352888 0.8239432566227961
C 1.9806575664920705 0.8874452094706644 0.08383001911120173
C -0.8942827248264791 -0.6242935836149383 0.38543429383593303
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H 0.40627935750255517 1.6625086883418116 0.7908248095849322
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H 0.9048281664708067 0.40164123861113576 2.2233254066048893
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13
CC(C(=O)O)N
C 0.8884143787902853 0.4147026609710204 0.8272727714557712
C 1.987274224279127 0.885274247192304 0.07500523888019316
C -0.8948961438477201 -0.6265499347128102 0.3868441128598743
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H 2.221334585141121 -0.7420677886978696 0.899395287487444
13
CC(C(=O)O)N
C 0.8905031504328893 0.4087752214365687 0.8304143586122461
C 1.9933319290566172 0.8830368421706499 0.06606046330601203
C -0.8953757831799422 -0.6288181630854014 0.38838089602439313
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H 0.3762965323055743 1.6875696263294053 0.7872604496299674
H 1.9541951144143104 2.2014986858008414 0.33470607083906434
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13
CC(C(=O)O)N
C 0.892650587198003 0.4029141512426659 0.8332104763915298
C 1.9988601608311165 0.8804478182444557 0.057119806781452856
C -0.8956524954045458 -0.6310033039093921 0.3899910009366508
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H 2.1737564958532603 -0.7153516373257494 0.8886664225560319
13
CC(C(=O)O)N
C 0.8947884586097096 0.39730661437537873 0.835611890591432
C 2.0038529154680633 0.8773120961887144 0.048366702927946995
C -0.8956269713297126 -0.6331594044401799 0.39165882713831823
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H 0.3562541862728547 1.6854358020906204 0.7768481291473313
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H 2.1504911512719183 -0.7013539836811229 0.8824878250042016
13
CC(C(=O)O)N
C 0.8967895105410503 0.3920259274581149 0.8376428241514112
C 2.0084134640546125 0.8733682505928151 0.040016111842309084
C -0.8952690554959017 -0.6353402644494925 0.3932956729930676
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13
CC(C(=O)O)N
C 0.8987979245949964 0.3870696879932909 0.8393540329310626
C 2.012627719173436 0.8686127875260888 0.03221040150146048
C -0.894532068040386 -0.6375277578086292 0.39490579478687904
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13
CC(C(=O)O)N
C 0.9007276489101622 0.3825466763091168 0.8407219009571402
C 2.0166069481149766 0.8631232237406902 0.02510963776797659
C -0.8935343479283783 -0.639674537701669 0.39644081922856667
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13
CC(C(=O)O)N
C 0.9026769708800059 0.378451569311928 0.8417244396127719
C 2.0204761699589953 0.8572037341966349 0.01890435843855519
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13
CC(C(=O)O)N
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C 2.024156898018245 0.8511268024167002 0.013861338038473756
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13
CC(C(=O)O)N
C 0.9074694685046473 0.37109890007824586 0.842922153410557
C 2.027582485518734 0.8452088128720685 0.01012972117954805
C -0.8880004035427508 -0.6462192007570311 0.4009469998764728
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13
CC(C(=O)O)N
C 0.910760393183575 0.3674101549034651 0.8434502418418647
C 2.0309886982432364 0.8396280724123674 0.007909906741424328
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13
CC(C(=O)O)N
C 0.9149294391751369 0.36335768722978484 0.8440958137936518
C 2.034190854572641 0.8345805989854024 0.0072892054716392745
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13
CC(C(=O)O)N
C 0.9200487391295415 0.35887941154239894 0.8448876091148249
C 2.03724046293502 0.8300407071008589 0.00835583065280359
C -0.8794761971187692 -0.6529131660154182 0.4047509497728679
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13
CC(C(=O)O)N
C 0.9262298025732036 0.3538364573056645 0.8457514777597515
C 2.040077642698457 0.8259254225883821 0.011111728863594359
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13
CC(C(=O)O)N
C 0.9334271514879039 0.3482138063353442 0.8466282102938987
C 2.042729669901102 0.8222549048843496 0.01542670810341551
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H 2.2162343894085144 -0.6670632587321987 0.7444480855523818
13
CC(C(=O)O)N
C 0.9414944957978578 0.3422107160523276 0.847479616393123
C 2.0450435972117944 0.8188779068603422 0.021273647878844316
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13
CC(C(=O)O)N
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C 2.0470679873533753 0.8155621492992562 0.02847487726827366
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13
CC(C(=O)O)N
C 0.959404433230725 0.3301659889734607 0.8483787430914961
C 2.048754249397728 0.8120786922526116 0.03678784210402954
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13
CC(C(=O)O)N
C 0.9689444901162814 0.3244451447606891 0.8482876315298984
C 2.0501304448218054 0.8080992235179123 0.04611642940400348
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13
CC(C(=O)O)N
C 0.9785720886670737 0.31911573298923857 0.8476214329532867
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13
CC(C(=O)O)N
C 0.9881475253012598 0.31422230151533564 0.8463994563583449
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13
CC(C(=O)O)N
C 0.9975326877405845 0.3098742021261929 0.8445650277885658
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C -0.8450740595352415 -0.6730973199846306 0.4157471245653288
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13
CC(C(=O)O)N
C 1.0067277812724984 0.3060844921576876 0.8422434867672044
C 2.0531942675803334 0.7854156270519567 0.0888224615014529
C -0.8415178582457399 -0.6751858328215643 0.41776620077484483
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13
CC(C(=O)O)N
C 1.0157470564666824 0.3028627357289998 0.8395177406240076
C 2.053290388128662 0.7788519267226223 0.10003727111448801
C -0.8381301185334058 -0.6772161742398466 0.41990075181854053
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13
CC(C(=O)O)N
C 1.0246337402246393 0.30014511284659834 0.8364232189531515
C 2.0530976663962086 0.772471042682848 0.111296494274253
C -0.8349351634997364 -0.6791546339546971 0.4222427402837957
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13
CC(C(=O)O)N
C 1.033454034841177 0.29787207815960587 0.8331921489940106
C 2.0525670303451107 0.766548583490656 0.12246908415198506
C -0.8319166258533591 -0.6810497830907445 0.4248784933754492
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13
CC(C(=O)O)N
C 1.0424800822388147 0.29576427098320524 0.8302071664570019
C 2.051836808828797 0.7612480412424566 0.13342500243486682
C -0.8290581654101277 -0.6828840682071085 0.427782208992476
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13
CC(C(=O)O)N
C 1.0518715398062943 0.2935633265652276 0.8275755697142161
C 2.050971736604271 0.756555951034245 0.14400906591247511
C -0.8263353167499679 -0.68464774184604 0.43096269808859594
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13
CC(C(=O)O)N
C 1.0616377930793175 0.2911342665091909 0.825437280687996
C 2.0500785782953725 0.7524168404708828 0.15407701565873566
C -0.8236835330844471 -0.6864861013655227 0.43438468163398875
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13
CC(C(=O)O)N
C 1.0717491847497063 0.2884220180446017 0.8238217927538061
C 2.0492031520398726 0.7486043764644931 0.16340576197923495
C -0.8210625566966365 -0.688296927295828 0.4379654340370767
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13
CC(C(=O)O)N
C 1.0820049973042618 0.2853465642052338 0.8225393827164902
C 2.0484509138653486 0.7448839627316578 0.1719223803725986
C -0.8185052949811361 -0.6900636610847549 0.44175383068778507
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13
CC(C(=O)O)N
C 1.0922113620108473 0.28198944872998805 0.8215415535225666
C 2.0477980592866647 0.7409637047595936 0.17947278442963152
C -0.815924927541731 -0.6918762320970779 0.4455911654294913
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13
CC(C(=O)O)N
C 1.1021919823191495 0.2783669195077347 0.8206226082403045
C 2.047296954830778 0.7365126151378113 0.1859694348158274
C -0.8132281230727276 -0.6937164290265961 0.44949742426187317
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13
CC(C(=O)O)N
C 1.1116861595069545 0.27451392815822717 0.8195591110489446
C 2.047037380651904 0.7312698003649717 0.1912374178224581
C -0.8103769580392237 -0.6955719447279672 0.45339811784303435
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H 2.3944264607009185 -0.6630522973731521 0.44692171582439094
13
CC(C(=O)O)N
C 1.1205602258254617 0.2704090507346449 0.8182214388107548
C 2.046937805329157 0.7249681777475767 0.19512862996343594
C -0.8072807324871307 -0.6973273935482638 0.45734874489306004
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13
CC(C(=O)O)N
C 1.128702300853237 0.2660479977680549 0.8165820624849939
C 2.0470741904426326 0.7175015003604803 0.19756263059454848
C -0.8038770672233249 -0.6990055598123371 0.4611903269103736
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13
CC(C(=O)O)N
C 1.1360717005042882 0.26145161019892105 0.8146641808950833
C 2.047350617332335 0.7089926343628679 0.19846463055117355
C -0.8001858584318041 -0.7005845854143932 0.4649181925144582
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13
CC(C(=O)O)N
C 1.1427184343522545 0.25668138124257583 0.8125267914152067
C 2.0477246310641295 0.6997494418544532 0.19790309796392427
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13
CC(C(=O)O)N
C 1.1485715313179865 0.2519207394542458 0.8101795696693411
C 2.0480695362689163 0.6901247065856637 0.19597006704037404
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13
CC(C(=O)O)N
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C 2.04821052811395 0.6804771317224368 0.19279213384973964
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13
CC(C(=O)O)N
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C 2.0481893941092215 0.6712937695649317 0.18859254374349027
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13
CC(C(=O)O)N
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C 2.0479847156276447 0.6629151040528732 0.18368676517277074
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13
CC(C(=O)O)N
C 1.1654155539832771 0.2352849500977335 0.8018125948348579
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13
CC(C(=O)O)N
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C 2.047490864853948 0.6492805399057037 0.17282914481927789
C -0.7652699439353191 -0.7107554122854621 0.4872926395566343
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13
CC(C(=O)O)N
C 1.1723258435876325 0.22869826801562862 0.7999463612816337
C 2.0475695111593137 0.6436579251576652 0.1673674378435268
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13
CC(C(=O)O)N
C 1.1759561867091541 0.2255432271304577 0.7997823285645258
C 2.0481049210034206 0.6385904844952165 0.1621737803707981
C -0.7528241449970755 -0.7141506740155427 0.4925127358887511
O 2.2736807099659 1.2516671907175176 1.2593903096853283
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13
CC(C(=O)O)N
C 1.179897431791241 0.22237144133131115 0.800026373864763
C 2.0490310840121824 0.633803403619145 0.15746307928339578
C -0.7462024620353735 -0.7159179225188907 0.49501004730722026
O 2.274404548252353 1.2604499697988343 1.265546544860467
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13
CC(C(=O)O)N
C 1.1842227784868533 0.2190391557895286 0.8004535159265642
C 2.0504305869802533 0.629063583472929 0.15331527752430305
C -0.7393550019399115 -0.7177444256531512 0.49738404055845326
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13
CC(C(=O)O)N
C 1.188948711453025 0.21542321276018078 0.8008369962085924
C 2.0523697888964927 0.6243292147079342 0.14974008827024596
C -0.732338080472817 -0.7195995975005625 0.4997247476873306
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13
CC(C(=O)O)N
C 1.1941447419562312 0.2113992140399943 0.8009810864474257
C 2.054861929588898 0.6194999084786943 0.14679623338477535
C -0.7251993437133538 -0.7214281165006482 0.5020767277907013
O 2.2756789751883373 1.2848160916439906 1.2810403464737785
O 0.5368458176612471 -0.7535013560700958 1.3094252423394255
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H 1.1166221857000014 1.6795669138905667 0.21581882175713166
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13
CC(C(=O)O)N
C 1.1998562400437307 0.20697913519852687 0.8007365800466244
C 2.057743839251562 0.6144633052036146 0.14443257948912636
C -0.7179449123271079 -0.723213764394284 0.5044389899071788
O 2.2760449308025374 1.291946513805192 1.285084261609072
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H 1.1042837277186006 1.6551701231626383 0.22701777087251873
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13
CC(C(=O)O)N
C 1.2060735094066755 0.20216264966818212 0.7999973492861281
C 2.060962564097674 0.6092816997708131 0.14272974105620312
C -0.7107268339101555 -0.7249601733154538 0.5068136448146979
O 2.2764116339192144 1.298490899841451 1.2885981704162452
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N -0.06854094528012351 -0.6965097850380808 -0.3140878225918316
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H 1.0893866275603052 1.6371177542883053 0.23549428070075215
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H 2.3644723694985204 -0.7243265413857681 0.2656039171843413
13
CC(C(=O)O)N
C 1.2127070461211042 0.19710700030355227 0.7988927610321535
C 2.064512362086785 0.6041917150963816 0.14160998425467705
C -0.7036356424902349 -0.7265556284670196 0.5091951932983823
O 2.2767412846150155 1.3044188928612115 1.2914771513196357
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13
CC(C(=O)O)N
C 1.2195740870511123 0.19206746447954867 0.7975094431171599
C 2.068355781138484 0.5994460997516056 0.141101799830535
C -0.696644350582349 -0.7279951095159911 0.5116185759604452
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H 1.0497324534731995 1.6190611327303135 0.24373032169101502
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H 1.2571527853720168 0.4061819982087938 -0.954540899797694
H 2.326603090863098 -0.6964171589333796 0.25897271008010997
13
CC(C(=O)O)N
C 1.2265990670110096 0.18734612342771928 0.7959269575138648
C 2.072176729079736 0.5953995517400084 0.14112991129447244
C -0.689829814299079 -0.7292967797603912 0.5141018289053367
O 2.276687580597229 1.3144807674868926 1.2952142511016866
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H 0.05879445610382673 0.8215230315082469 -0.3392293794956718
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H 2.309050924296823 -0.6876129683967916 0.25595159260520217
13
CC(C(=O)O)N
C 1.2335415128177694 0.18323278610030197 0.794349865603063
C 2.075928200850432 0.5923708387479936 0.14170770739211427
C -0.6832611595694754 -0.7304823163680862 0.5166736602232801
O 2.276168147860149 1.3185396919337908 1.296028481892425
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N -0.0691096968983487 -0.673602108778647 -0.3216676103834054
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H 1.0013967284760439 1.6139229358504756 0.2455906757832946
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H 2.2947611993113552 -0.6870059055547227 0.2524306916508445
13
CC(C(=O)O)N
C 1.2403654909289226 0.17994991200232624 0.7929523404570479
C 2.0795782257687994 0.590648930650464 0.1429361475798569
C -0.6769194396357191 -0.7315057994598926 0.5193415460163976
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H 0.013225826187894385 0.7620415244162012 -0.36944960254175707
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13
CC(C(=O)O)N
C 1.2470861082549258 0.17769385759760917 0.7918235766039627
C 2.083132445244192 0.5902912263047463 0.1447992066136452
C -0.6709176324261283 -0.7325410095057259 0.5220729561359921
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N -0.06899767531667153 -0.658958488652642 -0.3269190171055674
H -0.00735678163096101 0.7263789510560281 -0.3815903540956296
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H 2.2789908650348947 -0.7158685805378691 0.24248342180533855
13
CC(C(=O)O)N
C 1.253535646272279 0.17644281120117314 0.7910390203906015
C 2.08672631307686 0.5911338484210475 0.1474498922276681
C -0.6652470648892209 -0.7335559388855476 0.5249473808469158
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13
CC(C(=O)O)N
C 1.2598355328493174 0.17612932555416777 0.7905878571960288
C 2.0904329625059654 0.5930378950283672 0.15103121313270615
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H -0.0470331176766396 0.6588637472194201 -0.4042083167223999
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13
CC(C(=O)O)N
C 1.2660371871380822 0.17656562246305563 0.790441148477391
C 2.094280154362653 0.5957203143188965 0.1555792234673902
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13
CC(C(=O)O)N
C 1.2723677418791077 0.17754636423233613 0.7904364239585603
C 2.098454074901939 0.5989048598205088 0.1611018365238755
C -0.649984531948395 -0.7372872340091371 0.5343933846592275
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13
CC(C(=O)O)N
C 1.278874306733372 0.17879506101975381 0.7905323726967943
C 2.1030662024475735 0.6024119174586974 0.16750319315393278
C -0.645644364442881 -0.7388433372416557 0.5377621662096361
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H -0.10998261967884179 0.6294179299560492 -0.4500332376300068
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13
CC(C(=O)O)N
C 1.285673469322265 0.17996951039414388 0.7906829595281726
C 2.1082469846245377 0.6061345391345404 0.1746359438321461
C -0.6416440000973564 -0.7405464548635444 0.5411263052223796
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13
CC(C(=O)O)N
C 1.292857980466768 0.18078011300087413 0.7907656395508683
C 2.113970673385406 0.6100236075062498 0.1823253313418861
C -0.6379130424290024 -0.7423801762545487 0.5444135651848667
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13
CC(C(=O)O)N
C 1.3005646376369964 0.18099977650904686 0.7907244492603204
C 2.120291766812432 0.614012952322419 0.19042528287855634
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13
CC(C(=O)O)N
C 1.3087451958151752 0.18046243199552578 0.790532412150328
C 2.1272391545522336 0.6180620628120386 0.19876131632581706
C -0.6312102033135267 -0.7462295187883221 0.5502244210119289
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13
CC(C(=O)O)N
C 1.3171577177972318 0.17929574543451135 0.7901472013284224
C 2.134739544572346 0.6222260982866933 0.2070787012433447
C -0.6281767171871547 -0.7481588237795425 0.5526264844075929
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13
CC(C(=O)O)N
C 1.3255951305698983 0.177642164456327 0.7896546410426369
C 2.1426399515707866 0.6265918907281964 0.21518814074740392
C -0.625366410763285 -0.749982982678419 0.5546514556192763
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13
CC(C(=O)O)N
C 1.3337729917990493 0.17564662975187265 0.789183070448055
C 2.150995091903946 0.6312760326768307 0.2229182522789726
C -0.6228020945598212 -0.7514349635177558 0.5561597359979624
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13
CC(C(=O)O)N
C 1.3413869926887598 0.17358002892183508 0.7889806073634309
C 2.1597918278983816 0.6364623281902224 0.23009620987843968
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13
CC(C(=O)O)N
C 1.348042529003275 0.17172817344074842 0.7892425323157457
C 2.169028033875875 0.6420831957976444 0.23649846953724876
C -0.6184385550097002 -0.7533747267005495 0.5572674458930974
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13
CC(C(=O)O)N
C 1.353610863684196 0.17021897448679052 0.7900183817798739
C 2.178635130231883 0.6481814299597906 0.24210400347444513
C -0.6166120936375797 -0.7539487969879572 0.556867383143466
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H 2.0220562601579783 -0.8275070240266914 0.24091239888297133
13
CC(C(=O)O)N
C 1.3580536554211997 0.16907748829019337 0.79130535380462
C 2.1886122941273465 0.6547315703520862 0.24681325331538848
C -0.6149434516629695 -0.7542603921178143 0.555878549779697
O 2.2112354262360165 1.3062731865109445 1.211538588736738
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H 0.2525567825939582 0.7934813235366776 1.5483573325490672
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H 2.007086826908009 -0.8491300808408748 0.23493522536141984
13
CC(C(=O)O)N
C 1.36134803305751 0.16818470920020834 0.7931049274276631
C 2.198871403519234 0.6615731167531885 0.25053518274129827
C -0.6133698992802425 -0.7543194396427858 0.5542646967932047
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H 1.338520376904225 0.2808333819265183 -0.8254389319393801
H 1.9951049861698 -0.8782120304806701 0.22608252761653758
13
CC(C(=O)O)N
C 1.363695507858044 0.16736623440200055 0.7953268598209505
C 2.2094008412761843 0.6683001285495728 0.2532374144484476
C -0.6118061296695291 -0.7542055665660765 0.552017978049037
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H 1.9842273190589297 -0.9110288779583348 0.21600265312882339
13
CC(C(=O)O)N
C 1.3653175091275775 0.1664018428775485 0.7978742137192394
C 2.2203019683592498 0.6747027657145814 0.2548453707303673
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H 1.9725178259032026 -0.9439769390037539 0.20592177660044916
13
CC(C(=O)O)N
C 1.3662896474427464 0.16501348188229065 0.8006098450766356
C 2.231572647984403 0.6806271760153446 0.255426667905071
C -0.6089659998070166 -0.7538929548016987 0.5459884466762014
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H 1.9584453564941464 -0.9735713885594566 0.19694367724244227
13
CC(C(=O)O)N
C 1.3669341347096795 0.16306001430844846 0.8034756402816137
C 2.2431933501178873 0.6860019586939169 0.25490447924679643
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13
CC(C(=O)O)N
C 1.3673760457185076 0.16033725449991426 0.8063940105819468
C 2.255183084244055 0.6906964567559798 0.25330414142749996
C -0.6064894701783203 -0.7537487823703574 0.5381895851372822
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13
CC(C(=O)O)N
C 1.3677428149187416 0.15674508636569232 0.8092585295622616
C 2.2675293206141247 0.6947292563950838 0.25070404687253484
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13
CC(C(=O)O)N
C 1.3681081505176635 0.1522264375271219 0.8119716707558393
C 2.2801587030612898 0.6980656170908055 0.24718427906611998
C -0.6043937894267114 -0.7538176577002317 0.5283791176509498
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13
CC(C(=O)O)N
C 1.3686061537205725 0.14694255772661038 0.8146107798862338
C 2.293095556050877 0.7006609199880466 0.2428667688308411
C -0.6036146162996499 -0.7538250650027137 0.5226167749114485
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13
CC(C(=O)O)N
C 1.369283918856493 0.14099453056383499 0.8171648708324329
C 2.306305551371768 0.7026839234761145 0.23786957435123332
C -0.603145802346547 -0.7537689759545114 0.516396376679288
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H -0.40850244116375595 0.7744460086265293 -0.6641050789998338
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13
CC(C(=O)O)N
C 1.3701129333547706 0.1346418763961934 0.8196630010864777
C 2.319675900970799 0.7042420442528051 0.23226885668776914
C -0.6030977739124392 -0.7535495778470076 0.5097555501924984
O 2.1622331766230047 1.3181462387098406 1.188967229382866
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13
CC(C(=O)O)N
C 1.371119554834203 0.1282496124422066 0.8222353621066961
C 2.3331239744907295 0.705384519054937 0.2262058918069798
C -0.6034457638708589 -0.7531129692019226 0.5027791930144202
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13
CC(C(=O)O)N
C 1.3720800751123194 0.12218580183974544 0.8249664329250045
C 2.346514781392242 0.7061491817617775 0.2199722333148103
C -0.6042065408421988 -0.7524656560929526 0.49550454708218
O 2.1534507445110944 1.326148118820235 1.1931955280453925
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N -0.03093569106493651 -0.5107894896792553 -0.3546936804757827
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13
CC(C(=O)O)N
C 1.3729103573290686 0.11684728476947924 0.827919270780346
C 2.3598097335502874 0.7066661450358782 0.21373814885287284
C -0.6053781287057717 -0.7517154087702921 0.48804819510255787
O 2.1489260834284845 1.3302541384548754 1.1955844989852045
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13
CC(C(=O)O)N
C 1.3735723494156689 0.11228464660375753 0.8310820605209097
C 2.372805203716225 0.7070604278099247 0.20775174872647142
C -0.6069097276820286 -0.7507550999490826 0.4806199756448932
O 2.1443583336621663 1.3342625814685516 1.1979324719131206
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13
CC(C(=O)O)N
C 1.3741277654886321 0.10865252005196542 0.8344190358249002
C 2.3853543852375796 0.7072751697933953 0.20222061693298354
C -0.6087453455257098 -0.7497462546610284 0.47341020624892327
O 2.1397207434454506 1.3381273439424008 1.200093735260471
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13
CC(C(=O)O)N
C 1.3745280628247216 0.10584669402647158 0.8378832150115046
C 2.397384303990128 0.7073588462865528 0.19726487902090933
C -0.6108795529180705 -0.7488308842479425 0.4665332382483602
O 2.1350625226288407 1.3416399060421242 1.202010094594224
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H 1.5837166100181679 -1.046843998584638 0.1964027931739936
13
CC(C(=O)O)N
C 1.3749206152808398 0.10365851607716436 0.8414243239074153
C 2.4088432508481925 0.7073766895126459 0.19293872533548292
C -0.6132668936912264 -0.747970333336839 0.46015111161260713
O 2.13033522734803 1.3447378690147958 1.203600037032146
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H 1.5687398922036304 -1.078883576744782 0.18056967436301774
13
CC(C(=O)O)N
C 1.3753635970528992 0.101926295417081 0.8448989423867264
C 2.4196136094834033 0.7073822422018299 0.189317089192429
C -0.6157978508398975 -0.7472868982133603 0.4543444812716786
O 2.125515858481453 1.3473077471417227 1.2048187916873707
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H 1.171687548035517 0.1263668370010519 -0.8455719975591807
H 1.554755216924453 -1.1122631171148576 0.16366332574981143
13
CC(C(=O)O)N
C 1.3760236510601929 0.10051845445703213 0.8481605304616481
C 2.429649357279363 0.7074007014599196 0.1865687445944913
C -0.6185074430838162 -0.7468367192026238 0.4491962258224457
O 2.120565438620547 1.3493644461535452 1.2055643564177667
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H -0.4346120822251643 0.6685897981713033 -0.636857226458953
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H 2.570984355157983 -0.2816972689033106 1.447721115761515
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H 1.1619349560132626 0.119409791965923 -0.8503884666069618
H 1.5403035399748723 -1.1444241396367945 0.14698607318956436
13
CC(C(=O)O)N
C 1.3769570079131657 0.09928274067042876 0.8511901872971858
C 2.4388571087342967 0.7074202945089668 0.1846940188609402
C -0.6214130964995547 -0.7466040986859757 0.444583803885041
O 2.115622215791737 1.35097790699488 1.2057970321607128
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H -0.45517779464404545 0.6958088113505992 -0.6511461589720673
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H -0.2120003183222544 0.48302712967478767 1.5055487697485617
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H 1.5241766457888102 -1.1734403881971427 0.13152827425659191
13
CC(C(=O)O)N
C 1.3782047021184587 0.09817959337950384 0.8539527015924355
C 2.4472463153694264 0.7073762695520449 0.18375197494008458
C -0.6243860100355235 -0.746550612039474 0.4405400788489466
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H 1.1423292334291002 0.10581757045569136 -0.8549828589485229
H 1.505289548016076 -1.1980330778415136 0.11813213726436411
13
CC(C(=O)O)N
C 1.379745198181576 0.09711712763049243 0.8563507303030362
C 2.4547563169119275 0.707412538555727 0.1837875420281383
C -0.6274171670366762 -0.746557435637299 0.4369873065370987
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H 0.4448552560776593 0.9937939554286316 0.19921251996144002
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H 1.4830633272542448 -1.2172559156520049 0.1071351880451972
13
CC(C(=O)O)N
C 1.3816078284821067 0.09607937907691784 0.8583690446542944
C 2.461411006695374 0.7075575854266778 0.18487277312051847
C -0.630513528657931 -0.7466243899637387 0.4337594590846363
O 2.1009203576324134 1.3520026199064314 1.2029329031596392
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N 0.0012658519477761023 -0.460555669068888 -0.3337952696366639
H -0.5195602050830687 0.7733655752210642 -0.6960909066296814
H 0.43880380307768 0.9844799757170255 0.20332575607942915
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H 1.4578490167343423 -1.23082435041747 0.09865942667468781
13
CC(C(=O)O)N
C 1.383849796338679 0.09512867829919311 0.8600426507848168
C 2.4671702210798596 0.7078106693058752 0.1869689767831477
C -0.6336574069536529 -0.7467609176582667 0.4307356841786473
O 2.096153767439918 1.3510168738218964 1.2007787218471442
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N 0.006758200487794727 -0.45689522072208816 -0.33220120787181784
H -0.5348716275036354 0.7835912655320476 -0.7048395026448757
H 0.43205215963919713 0.9767107151196046 0.20712626931697486
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13
CC(C(=O)O)N
C 1.386514523268498 0.09422638395031241 0.861519339201807
C 2.47203673090667 0.7081524891415273 0.19016301203142044
C -0.6368614631607009 -0.7469535705152848 0.4277878442437048
O 2.0914763124170457 1.3494673682422962 1.1980604925407579
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H -0.5450265711102856 0.7823764115192288 -0.7085417534596234
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13
CC(C(=O)O)N
C 1.3894271424273077 0.09334403744458104 0.8627554600716525
C 2.4761183951659094 0.7085363893599209 0.19436535264762209
C -0.6400861590625718 -0.7472372190025337 0.42492326704078287
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13
CC(C(=O)O)N
C 1.3926556854519814 0.09260703874640261 0.8638268570330502
C 2.4794258449609186 0.7089796892367081 0.1994382126922975
C -0.6433200652095971 -0.7475171906675565 0.4222131013954457
O 2.082218281541346 1.3446564653579889 1.191092512985803
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H -0.549929405862752 0.7461587170468459 -0.7007020802484953
H 0.40436365358936904 0.9665305782616104 0.21326338617542184
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13
CC(C(=O)O)N
C 1.3960911814014298 0.09212513378389674 0.8648471865382215
C 2.4819933218958217 0.7094915829501479 0.20537338036288846
C -0.6464819390875163 -0.7477866149655888 0.4196516464862172
O 2.0776698519130297 1.3414143121958346 1.1868871188100973
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N 0.02648439892394513 -0.43757447215639317 -0.32712213721731587
H -0.5464497130115371 0.7145530403428886 -0.6906239813636922
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13
CC(C(=O)O)N
C 1.3997401634245663 0.09182371886704127 0.8657378335846188
C 2.483788373622234 0.710090192564408 0.21215093369905266
C -0.6495104318713197 -0.7480591826078826 0.41733429725619864
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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13
CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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CC(C(=O)O)N
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O 1.1345888272419602 1.0594201789102018 0.590054351942944
O 0.5892449610746865 -0.4790689616671831 1.6245114051947802
N 0.8039557409217203 0.21277553343276598 -0.29260816339830464
H -0.5642855442321656 -0.4230871992439549 -0.8230745693810703
H -0.7146261987288215 0.8301228438906152 0.2846255721858036
H 2.3609575903662217 0.9897268985902486 -0.07887853902153746
H -0.6569140002213114 -1.3647952846908962 0.7661707289986052
H -0.8624215206253818 0.08557124093679505 1.3879930671238436
H 0.9275548200862082 1.6563762505280095 -0.6625847246714347
H 0.6554658595718238 -1.6780233386633954 0.0636693361090858
13
CC(C(=O)O)N
C 1.6420438972463298 -0.6615822433636643 0.4172860798110453
C 1.8690708107838288 0.09251208355534853 1.279809385704693
C 0.03600729383074169 -0.3158789030609611 0.3996157073634901
O 1.1333604895004403 1.0585554937611676 0.5940435581634985
O 0.5980363258490643 -0.4775860544845538 1.6259147140187251
N 0.8082143919299897 0.2097798724564858 -0.3007804403690707
H -0.5687957284037861 -0.4269161699765623 -0.8140342748996242
H -0.6962377503007201 0.8139341281952307 0.2770586394150135
H 2.3673771267552826 0.9959746410379885 -0.08142263220318043
H -0.6572887205762901 -1.3585338497894284 0.7708767056535926
H -0.865559901918208 0.06221271147106913 1.3927043254808107
H 0.9298941449743869 1.6766129989498875 -0.6662270003680187
H 0.6287756222880735 -1.669037411815759 0.06651283562498629
13
CC(C(=O)O)N
C 1.6379975601794454 -0.6647979838032155 0.4145393380174259
C 1.8570204162292474 0.09326461251945893 1.285771784575743
C 0.03731049442266762 -0.31165047415818964 0.39858270289030023
O 1.132091459177968 1.0586543853006507 0.5983634904352829
O 0.6066560596781216 -0.47624854628302266 1.627530355554109
N 0.8123937327573099 0.20676335102929488 -0.3102581587822662
H -0.5702918845648259 -0.42968484955403224 -0.8013532592935712
H -0.6778408362872745 0.7982551667525685 0.2689042160777482
H 2.3732699751082933 1.0013785442461918 -0.0841017719641197
H -0.6552201261859526 -1.3491759747812506 0.7752265485769414
H -0.8648953772539351 0.037064187829834824 1.3954925291842746
H 0.9326533895983693 1.6933265208414285 -0.6673081991842956
H 0.6020185897311168 -1.6588317956209409 0.07009198376216878
13
CC(C(=O)O)N
C 1.634184537955878 -0.6683842079636637 0.41165350010501867
C 1.8454711985531977 0.09401366299578359 1.2921527401758601
C 0.037810540622913516 -0.3080684004807256 0.39775789786631455
O 1.1308456523754367 1.0597202395458032 0.6029038785867996
O 0.615042030595216 -0.4749818146483288 1.6293814005453051
N 0.8166226418852259 0.20376024318470198 -0.3210016847112127
H -0.5696086173266814 -0.43195594793772346 -0.7859960985652514
H -0.6617576589376175 0.7856837942515366 0.26042648775433036
H 2.3775037245699875 1.0057022920171061 -0.08623568104217905
H -0.6513464313313949 -1.3373771368233025 0.778910800322941
H -0.8608184693450582 0.010217137896197522 1.3965643052333063
H 0.9357565174930169 1.7045450090992218 -0.6644534430167328
H 0.5749646577810119 -1.64865150725398 0.07376236638593436