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drugbank-0021.xyz 690 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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O          0.85340        1.76000        1.28600
C          1.25470        0.71080        0.71710
O          2.22230       -0.07590        1.33490
C          0.66160        0.29820       -0.59850
C         -0.40400       -0.78900       -0.41850
C         -1.60210       -0.28100        0.33150
O         -1.87780       -0.75150        1.46640
O         -2.42270        0.69930       -0.21940
H          2.55200       -0.93260        0.90650
H          1.47270       -0.09750       -1.24650
H          0.22820        1.18190       -1.11540
H         -0.73620       -1.14270       -1.41780
H          0.03950       -1.65920        0.11430
H         -2.24160        1.07920       -1.14060