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|
STI
RDKit 3D
69 73 0 0 0 0 0 0 0 0999 V2000
11.8790 62.2720 12.5700 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0020 61.4290 12.9100 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0970 60.0700 12.3920 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0310 59.5910 11.5250 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9610 60.4250 11.2160 N 0 0 0 0 0 0 0 0 0 0 0 0
10.8580 61.7340 11.7100 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2380 59.1550 12.7120 C 0 0 0 0 0 0 0 0 0 0 0 0
15.4330 59.5790 13.3830 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4280 58.6030 13.6150 C 0 0 0 0 0 0 0 0 0 0 0 0
16.2320 57.3030 13.2020 N 0 0 0 0 0 0 0 0 0 0 0 0
15.0670 56.9270 12.5590 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1010 57.8400 12.3270 N 0 0 0 0 0 0 0 0 0 0 0 0
14.8520 55.6270 12.1280 N 0 0 0 0 0 0 0 0 0 0 0 0
15.8220 54.6410 12.3220 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9500 54.5020 11.3930 C 0 0 0 0 0 0 0 0 0 0 0 0
17.9150 53.4710 11.6480 C 0 0 0 0 0 0 0 0 0 0 0 0
17.7740 52.5970 12.7860 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6780 52.7270 13.6880 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6980 53.7720 13.4360 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6000 51.8100 14.7980 N 0 0 0 0 0 0 0 0 0 0 0 0
15.6290 51.7470 15.7840 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5950 50.5580 16.6890 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4230 50.2680 17.5190 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4230 49.1240 18.3960 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6000 48.2600 18.4460 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7470 48.5680 17.6080 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7510 49.6890 16.7480 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6960 47.0300 19.3680 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9170 46.9070 20.2190 N 0 0 0 0 0 0 0 0 0 0 0 0
17.0970 48.1400 21.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
18.3750 48.0410 21.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
18.3370 46.7940 22.8210 N 0 0 0 0 0 4 0 0 0 0 0 0
19.5220 46.6550 23.6800 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1720 45.5330 21.9710 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8770 45.6580 21.1040 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7890 52.6120 15.9830 O 0 0 0 0 0 0 0 0 0 0 0 0
17.1480 55.4060 10.1540 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8062 63.2986 12.9584 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7941 61.8172 13.5671 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0710 58.5712 11.1146 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9907 62.3536 11.4381 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5692 60.6222 13.7041 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3612 58.8815 14.1264 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9671 55.3856 11.6595 H 0 0 0 0 0 0 0 0 0 0 0 0
18.7709 53.3462 10.9684 H 0 0 0 0 0 0 0 0 0 0 0 0
18.5270 51.8146 12.9616 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8458 53.8903 14.1214 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3590 51.1171 14.8661 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5415 50.9244 17.4728 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5454 48.9037 19.0215 H 0 0 0 0 0 0 0 0 0 0 0 0
17.6309 47.9143 17.6441 H 0 0 0 0 0 0 0 0 0 0 0 0
17.6317 49.9011 16.1240 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8254 47.0517 20.0400 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7384 46.1679 18.6861 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1813 49.0187 20.4136 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2257 48.2317 21.7351 H 0 0 0 0 0 0 0 0 0 0 0 0
19.2591 47.9974 21.2960 H 0 0 0 0 0 0 0 0 0 0 0 0
18.4233 48.9255 22.6012 H 0 0 0 0 0 0 0 0 0 0 0 0
17.5190 46.9067 23.4367 H 0 0 0 0 0 0 0 0 0 0 0 0
19.2157 46.6909 24.7359 H 0 0 0 0 0 0 0 0 0 0 0 0
20.0138 45.6930 23.4734 H 0 0 0 0 0 0 0 0 0 0 0 0
20.2231 47.4771 23.4734 H 0 0 0 0 0 0 0 0 0 0 0 0
19.0452 45.4175 21.3121 H 0 0 0 0 0 0 0 0 0 0 0 0
18.0913 44.6545 22.6281 H 0 0 0 0 0 0 0 0 0 0 0 0
16.0042 45.7193 21.7707 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8089 44.7739 20.4531 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3727 56.4320 10.4808 H 0 0 0 0 0 0 0 0 0 0 0 0
17.9834 55.0223 9.5499 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2287 55.4067 9.5499 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 6 1 0
2 3 1 0
3 4 2 0
3 7 1 0
4 5 1 0
5 6 2 0
7 8 2 0
7 12 1 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 2 0
14 19 1 0
15 16 1 0
15 37 1 0
16 17 2 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 0
21 36 2 0
22 23 2 0
22 27 1 0
23 24 1 0
24 25 2 0
25 26 1 0
25 28 1 0
26 27 2 0
28 29 1 0
29 30 1 0
29 35 1 0
30 31 1 0
31 32 1 0
32 33 1 0
32 34 1 0
34 35 1 0
1 38 1 0
2 39 1 0
4 40 1 0
6 41 1 0
8 42 1 0
9 43 1 0
13 44 1 0
16 45 1 0
17 46 1 0
19 47 1 0
20 48 1 0
23 49 1 0
24 50 1 0
26 51 1 0
27 52 1 0
28 53 1 0
28 54 1 0
30 55 1 0
30 56 1 0
31 57 1 0
31 58 1 0
32 59 1 0
33 60 1 0
33 61 1 0
33 62 1 0
34 63 1 0
34 64 1 0
35 65 1 0
35 66 1 0
37 67 1 0
37 68 1 0
37 69 1 0
M CHG 1 32 1
M END
> <model_server_result.job_id> (1)
w6DDnsOGdcKgEcKvw5jCsc
> <model_server_result.datetime_utc> (1)
2021-02-11 18:24:39
> <model_server_result.server_version> (1)
0.9.6
> <model_server_result.query_name> (1)
ligand
> <model_server_result.source_id> (1)
pdb-bcif
> <model_server_result.entry_id> (1)
1iep
> <model_server_params.name> (1)
atom_site
> <model_server_params.value> (1)
{"label_asym_id":"G","auth_seq_id":201}
> <model_server_stats.io_time_ms> (1)
4
> <model_server_stats.parse_time_ms> (1)
18
> <model_server_stats.create_model_time_ms> (1)
14
> <model_server_stats.query_time_ms> (1)
196
> <model_server_stats.encode_time_ms> (1)
0
> <model_server_stats.element_count> (1)
37
$$$$
|
