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drugbank-0009.xyz 1.92 KB
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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         -6.82720        1.70710       -0.28470
C         -5.68050        0.86510       -0.61890
C         -5.25850       -0.00220        0.57890
C         -4.14230       -0.99340        0.22420
N         -2.87060       -0.29240        0.00090
C         -1.76470       -1.25410       -0.08070
C         -0.43680       -0.51180       -0.25850
C          0.74210       -1.49350       -0.31520
C          2.07630       -0.77090       -0.52860
N          2.39170        0.07340        0.63230
C          3.47520        1.02870        0.35260
C          4.85010        0.34580        0.24680
C          5.96900        1.38590        0.09080
N          7.27800        0.74590       -0.02110
H         -6.58090        2.30200        0.53970
H         -7.62800        1.09380       -0.00730
H         -5.95000        0.21520       -1.47960
H         -4.83970        1.52050       -0.93020
H         -4.92300        0.64880        1.41570
H         -6.13910       -0.58300        0.93070
H         -4.42680       -1.58470       -0.67580
H         -4.04210       -1.69830        1.08010
H         -2.93050        0.19250       -0.92520
H         -1.92120       -1.94680       -0.93920
H         -1.71350       -1.85070        0.85770
H         -0.47060        0.07900       -1.20020
H         -0.29930        0.19000        0.59300
H          0.78890       -2.08350        0.62650
H          0.58710       -2.20300       -1.15750
H          2.86920       -1.53790       -0.66940
H          2.01060       -0.16140       -1.45760
H          2.66570       -0.53800        1.43730
H          3.25790        1.60010       -0.57700
H          3.50360        1.76570        1.18420
H          5.03650       -0.25710        1.16220
H          4.86560       -0.33090       -0.63370
H          5.97500        2.06690        0.96960
H          5.78770        1.99860       -0.81920
H          7.44380        0.16400        0.83210
H          7.27130        0.10470       -0.84760