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drugbank-0002.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         -2.00280       -0.63050        0.25080
C         -1.31320       -0.18520       -0.96290
C          0.08560       -0.82670       -1.06250
C          0.93410       -0.56980        0.15090
C          1.55800        0.61510        0.47570
N          2.23390        0.42460        1.61810
C          2.01490       -0.85980        1.95750
N          1.22300       -1.50680        1.07650
C         -1.22780        1.32220       -1.02480
O         -0.99890        1.88000       -2.13040
O         -1.37940        2.11630        0.11160
H         -2.98170       -0.26170        0.22510
H         -2.08820       -1.67270        0.21870
H         -1.90470       -0.52300       -1.84460
H          0.61530       -0.45780       -1.96770
H         -0.03770       -1.92470       -1.18560
H          1.53240        1.54320       -0.08010
H          2.81400        1.12360        2.13240
H          2.43290       -1.32630        2.83970
H         -1.50980        1.72000        1.03400