Datasets:

PDBbind_test / 5zk9 /5zk9_input_conf_6.sdf
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5zk9_ligand
RDKit 3D
263264 0 0 0 0 0 0 0 0999 V2000
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105106 2 0
105111 1 0
107108 1 0
108109 1 0
108110 1 0
111112 1 0
112113 1 0
112115 1 0
113114 2 0
113120 1 0
115116 1 0
116117 1 0
117118 1 0
118119 1 0
3121 1 0
3122 1 0
3123 1 0
4124 1 0
5125 1 6
8126 1 0
8127 1 0
9128 1 0
9129 1 0
10130 1 0
10131 1 0
11132 1 0
13133 1 0
13134 1 0
14135 1 0
14136 1 0
15137 1 0
16138 1 6
19139 1 1
20140 1 0
20141 1 0
21142 1 0
21143 1 0
21144 1 0
22145 1 0
22146 1 0
22147 1 0
23148 1 0
24149 1 6
27150 1 6
28151 1 0
28152 1 0
29153 1 0
29154 1 0
29155 1 0
30156 1 0
30157 1 0
30158 1 0
31159 1 0
32160 1 1
35161 1 0
35162 1 0
37163 1 0
38164 1 0
39165 1 0
40166 1 0
42167 1 0
43168 1 0
44169 1 6
47170 1 0
47171 1 0
48172 1 0
49173 1 0
50174 1 1
53175 1 0
53176 1 0
54177 1 0
54178 1 0
55179 1 0
55180 1 0
56181 1 0
58182 1 0
58183 1 0
59184 1 0
59185 1 0
61186 1 0
64187 1 0
64188 1 0
65189 1 0
65190 1 0
66191 1 0
67192 1 0
67193 1 0
68194 1 0
68195 1 0
68196 1 0
69197 1 0
70198 1 1
73199 1 0
73200 1 0
74201 1 0
74202 1 0
77203 1 0
77204 1 0
78205 1 0
79206 1 6
82207 1 0
82208 1 0
83209 1 0
84210 1 0
84211 1 0
84212 1 0
85213 1 0
85214 1 0
85215 1 0
86216 1 0
87217 1 1
90218 1 0
90219 1 0
91220 1 0
92221 1 0
92222 1 0
92223 1 0
93224 1 0
93225 1 0
93226 1 0
95227 1 0
98228 1 0
98229 1 0
99230 1 0
99231 1 0
100232 1 0
101233 1 0
101234 1 0
102235 1 0
102236 1 0
102237 1 0
103238 1 0
104239 1 6
107240 1 0
107241 1 0
108242 1 0
109243 1 0
109244 1 0
109245 1 0
110246 1 0
110247 1 0
110248 1 0
111249 1 0
112250 1 6
115251 1 0
115252 1 0
116253 1 0
116254 1 0
117255 1 0
117256 1 0
118257 1 0
118258 1 0
119259 1 0
119260 1 0
119261 1 0
120262 1 0
120263 1 0
M CHG 3 13 1 58 1 119 1
M END
> <_TriposChargeType> (1)
GAST_HUCK
$$$$