Datasets:

posebusters_docking / 6Z1C_7EY /6Z1C_input_conf_3.sdf
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Add batch 3
73271a2 verified
6Z1C_7EY_A_501
RDKit 3D
36 38 0 0 0 0 0 0 0 0999 V2000
-1.1309 -3.1211 -1.8381 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7330 -2.2120 -0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6021 -2.1288 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7208 -2.8807 0.2914 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2305 -3.8936 -1.8197 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0903 2.9811 0.3530 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5215 2.8341 1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4118 3.8615 2.2858 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8658 1.5878 1.9403 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1443 0.4193 1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2859 -1.0669 1.6114 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.9690 -3.7134 -0.7249 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0628 -3.2071 -3.1618 S 0 0 0 0 0 0 0 0 0 0 0 0
0.9597 -2.0220 -2.4866 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5001 -1.5653 -1.2654 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2525 -0.5336 -0.5695 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1234 0.8057 -0.9534 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8344 1.7999 -0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6755 1.4677 0.7909 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4612 2.5325 1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8184 0.1229 1.1553 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1090 -0.8738 0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8703 4.6048 1.8406 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7896 1.7820 2.0128 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2669 1.3806 2.9391 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8025 0.6534 -0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2199 0.2163 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8736 -4.3089 -0.6492 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8508 -1.7146 -3.0188 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4678 1.0851 -1.7752 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7266 2.8364 -0.5904 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6379 2.2583 2.5434 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4258 2.6773 1.0019 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9170 3.4828 1.4997 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4805 -0.1577 1.9716 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2244 -1.9109 0.7875 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
1 5 2 0
6 7 2 0
7 8 1 0
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19 20 1 0
19 21 1 0
16 22 1 0
21 22 2 0
8 23 1 0
9 24 1 0
9 25 1 0
10 26 1 0
10 27 1 0
12 28 1 0
14 29 1 0
17 30 1 0
18 31 1 0
20 32 1 0
20 33 1 0
20 34 1 0
21 35 1 0
22 36 1 0
M END
$$$$