Datasets:

PDBbind_test / 5ze6 /5ze6_ligand.sdf
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Add batch 1
4a5f7c4 verified
5ze6_ligand
-I-interpret-
59 59 0 0 0 0 0 0 0 0999 V2000
14.9610 4.1610 49.1090 C 0 0 0 0 0
12.0670 19.6400 41.2690 O 0 0 0 0 0
10.4280 20.3740 42.4060 O 0 0 0 0 0
8.0010 19.3610 41.6850 O 0 0 0 0 0
8.5580 15.8990 40.6730 C 0 0 0 0 0
7.9380 17.0910 41.0010 C 0 0 0 0 0
9.9340 15.8210 40.6710 C 0 0 0 0 0
15.1530 4.9390 47.8040 C 0 0 0 0 0
14.4330 6.2900 47.8180 C 0 0 0 0 0
14.8080 7.0790 46.5770 C 0 0 0 0 0
13.8480 8.2020 46.2370 C 0 0 0 0 0
13.8500 8.3760 44.7250 C 0 0 0 0 0
13.7450 9.8320 44.3000 C 0 0 0 0 0
15.0640 10.5620 44.0440 C 0 0 0 0 0
15.3190 11.6890 45.0440 C 0 0 0 0 0
15.3700 13.0810 44.4400 C 0 0 0 0 0
14.0420 13.8380 44.4810 C 0 0 0 0 0
14.0540 15.0010 43.4780 C 0 0 0 0 0
12.7120 15.4360 42.8760 C 0 0 0 0 0
12.7560 15.5960 41.3510 C 0 0 0 0 0
12.1170 16.7980 40.9750 O 0 0 0 0 0
10.9030 19.4390 41.7020 C 0 0 0 0 0
8.6980 18.1990 41.3430 C 0 0 0 0 0
10.7130 16.9270 41.0130 C 0 0 0 0 0
10.0980 18.1550 41.3470 C 0 0 0 0 0
15.3563 4.7450 49.9402 H 0 0 0 0 0
13.8986 3.9751 49.2667 H 0 0 0 0 0
15.4919 3.2111 49.0457 H 0 0 0 0 0
9.5425 20.1390 42.6928 H 0 0 0 0 0
8.6267 20.0562 41.9012 H 0 0 0 0 0
7.9604 15.0242 40.4169 H 0 0 0 0 0
6.8502 17.1594 40.9906 H 0 0 0 0 0
10.4197 14.8839 40.3989 H 0 0 0 0 0
14.7361 4.3433 46.9920 H 0 0 0 0 0
16.2192 5.1266 47.6772 H 0 0 0 0 0
14.7286 6.8490 48.7059 H 0 0 0 0 0
13.3555 6.1262 47.8314 H 0 0 0 0 0
14.7961 6.3824 45.7387 H 0 0 0 0 0
15.7794 7.5348 46.7685 H 0 0 0 0 0
14.1596 9.1260 46.7241 H 0 0 0 0 0
12.8447 7.9608 46.5883 H 0 0 0 0 0
12.9832 7.8485 44.3269 H 0 0 0 0 0
14.7935 7.9843 44.3449 H 0 0 0 0 0
13.2650 10.3550 45.1272 H 0 0 0 0 0
13.2095 9.8325 43.3506 H 0 0 0 0 0
15.0143 11.0032 43.0485 H 0 0 0 0 0
15.8721 9.8373 44.1437 H 0 0 0 0 0
16.2969 11.5017 45.4875 H 0 0 0 0 0
14.4864 11.6808 45.7474 H 0 0 0 0 0
15.6386 12.9639 43.3901 H 0 0 0 0 0
16.0847 13.6578 45.0270 H 0 0 0 0 0
13.8931 14.2373 45.4842 H 0 0 0 0 0
13.2358 13.1528 44.2189 H 0 0 0 0 0
14.6530 14.6542 42.6360 H 0 0 0 0 0
14.4172 15.8641 44.0360 H 0 0 0 0 0
12.4583 16.4065 43.3024 H 0 0 0 0 0
11.9808 14.6609 43.1054 H 0 0 0 0 0
12.2416 14.7548 40.8863 H 0 0 0 0 0
13.7949 15.6231 41.0223 H 0 0 0 0 0
8 1 1 0 0 0
22 2 2 0 0 0
22 3 1 0 0 0
23 4 1 0 0 0
6 5 4 0 0 0
5 7 4 0 0 0
23 6 4 0 0 0
7 24 4 0 0 0
9 8 1 0 0 0
10 9 1 0 0 0
11 10 1 0 0 0
12 11 1 0 0 0
13 12 1 0 0 0
14 13 1 0 0 0
15 14 1 0 0 0
16 15 1 0 0 0
17 16 1 0 0 0
18 17 1 0 0 0
19 18 1 0 0 0
20 19 1 0 0 0
21 20 1 0 0 0
24 21 1 0 0 0
25 22 1 0 0 0
23 25 4 0 0 0
24 25 4 0 0 0
1 26 1 0 0 0
1 27 1 0 0 0
1 28 1 0 0 0
3 29 1 0 0 0
4 30 1 0 0 0
5 31 1 0 0 0
6 32 1 0 0 0
7 33 1 0 0 0
8 34 1 0 0 0
8 35 1 0 0 0
9 36 1 0 0 0
9 37 1 0 0 0
10 38 1 0 0 0
10 39 1 0 0 0
11 40 1 0 0 0
11 41 1 0 0 0
12 42 1 0 0 0
12 43 1 0 0 0
13 44 1 0 0 0
13 45 1 0 0 0
14 46 1 0 0 0
14 47 1 0 0 0
15 48 1 0 0 0
15 49 1 0 0 0
16 50 1 0 0 0
16 51 1 0 0 0
17 52 1 0 0 0
17 53 1 0 0 0
18 54 1 0 0 0
18 55 1 0 0 0
19 56 1 0 0 0
19 57 1 0 0 0
20 58 1 0 0 0
20 59 1 0 0 0
M END
$$$$