Datasets:

posebusters_docking / 6Z1C_7EY /6Z1C_input_conf_2.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
-1.6271 -2.5405 -1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.5460 0.3112 1.9727 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8781 0.1479 1.8766 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1036 1.7130 1.6785 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3293 2.1119 0.2278 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0714 1.4222 -0.9052 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.5225 -1.5021 -1.8038 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6673 -3.9291 -1.0349 S 0 0 0 0 0 0 0 0 0 0 0 0
0.6730 -2.9927 -0.5531 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3988 -1.6379 -0.5672 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4339 -0.7058 -0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5617 -0.3582 1.1952 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5553 0.5377 1.5956 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4380 1.0845 0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4812 2.0750 1.0815 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2970 0.7408 -0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.5987 -3.4798 -0.2749 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8852 -0.7749 1.9388 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6348 0.8059 2.6466 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8187 1.8721 2.1033 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0732 3.0896 1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3611 2.0189 0.4321 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9587 1.1715 -1.4429 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2099 -0.4098 -2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
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16 22 1 0
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8 23 1 0
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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
$$$$