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PDBbind_test / 5zk5 /5zk5_input_conf_4.sdf
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5zk5_ligand
RDKit 3D
246247 0 0 0 0 0 0 0 0999 V2000
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70186 1 0
70187 1 0
70188 1 0
71189 1 0
71190 1 0
71191 1 0
72192 1 0
73193 1 1
76194 1 0
76195 1 0
77196 1 0
78197 1 0
78198 1 0
78199 1 0
79200 1 0
79201 1 0
79202 1 0
81203 1 0
84204 1 0
84205 1 0
85206 1 0
85207 1 0
86208 1 0
86209 1 0
86210 1 0
87211 1 0
87212 1 0
88213 1 0
88214 1 0
88215 1 0
89216 1 0
90217 1 1
93218 1 0
93219 1 0
95220 1 0
96221 1 0
97222 1 0
98223 1 0
99224 1 0
100225 1 0
101226 1 1
104227 1 0
104228 1 0
105229 1 0
105230 1 0
108231 1 0
108232 1 0
109233 1 0
110234 1 6
111235 1 0
113236 1 0
113237 1 0
114238 1 0
114239 1 0
115240 1 0
115241 1 0
116242 1 0
118243 1 0
118244 1 0
119245 1 0
119246 1 0
M CHG 5 1 1 15 1 44 1 53 -1 118 1
M END
> <_TriposChargeType> (1)
GAST_HUCK
$$$$