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drugbank-0001.xyz 984 Bytes
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Gao, Xiang's avatar
Add xyz files to be used in future tests (#164)  
Gao, Xiang committed
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N          0.61040       -1.79310        0.30940
C          1.06930       -0.51280       -0.24190
C          0.26630        0.64910        0.37310
C         -1.21000        0.60830        0.06950
C         -2.14480        1.48330        0.57610
N         -3.36020        1.16970        0.08600
C         -3.13330        0.10650       -0.71410
N         -1.83780       -0.25740       -0.74710
C          2.54730       -0.30180       -0.01010
O          3.21990       -1.11400        0.68160
O          3.17760        0.80150       -0.57810
H          1.13090       -2.57030       -0.15940
H          0.82380       -1.83400        1.33320
H          0.90670       -0.51880       -1.34210
H          0.66150        1.61580       -0.00800
H          0.40100        0.64170        1.47700
H         -1.95500        2.30090        1.25900
H         -3.91120       -0.39680       -1.27290
H         -1.43040       -1.04080       -1.30300
H          4.16790        0.96320       -0.43910