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drugbank-0012.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          1.78470        1.60350       -1.00850
C          1.75250        0.17920       -0.91510
O          1.94640       -0.51730       -1.94710
C          1.49460       -0.49500        0.40140
C          0.16220       -1.26520        0.41850
C         -1.07910       -0.35370        0.55420
N         -2.25520       -1.16350        0.87690
C         -1.34140        0.41140       -0.71820
O         -1.58000       -0.20820       -1.78890
O         -1.33990        1.80370       -0.72450
H          1.62460        2.19920       -0.16610
H          1.96010        2.06640       -1.92770
H          1.51800        0.24470        1.23050
H          2.32220       -1.21370        0.58510
H          0.19350       -1.94570        1.29750
H          0.07590       -1.91380       -0.48140
H         -0.90530        0.36460        1.38750
H         -3.07420       -0.52300        0.99730
H         -2.10490       -1.60930        1.81140
H         -1.15480        2.33560        0.11730