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output_0.mol
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output_0.mol
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1a0q_ligand
RDKit 3D
45 45 0 0 0 0 0 0 0 0999 V2000
13.3050 20.7000 59.4050 C 0 0 2 0 0 0 0 0 0 0 0 0
12.4520 19.8420 58.4700 C 0 0 2 0 0 0 0 0 0 0 0 0
12.0320 18.5340 59.1240 C 0 0 2 0 0 0 0 0 0 0 0 0
11.2470 17.6310 58.1880 C 0 0 2 0 0 0 0 0 0 0 0 0
12.1070 17.1040 57.0260 C 0 0 1 0 0 0 0 0 0 0 0 0
14.7350 20.9920 55.3470 C 0 0 0 0 0 0 0 0 0 0 0 0
15.1480 21.1380 54.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
16.3840 21.7100 53.7410 C 0 0 0 0 0 0 0 0 0 0 0 0
17.2110 22.1400 54.7700 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7990 21.9980 56.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5620 21.4200 56.3890 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7980 20.9330 61.8050 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7430 20.6960 64.1740 C 0 0 2 0 0 0 0 0 0 0 0 0
11.8610 21.4970 62.8700 C 0 0 2 0 0 0 0 0 0 0 0 0
11.1530 19.2930 64.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9990 22.5100 57.5130 O 0 0 0 0 0 0 0 0 0 0 0 0
14.5790 22.9640 59.4710 O 0 0 0 0 0 0 0 0 0 0 0 0
15.1750 21.2220 57.7500 O 0 0 0 0 0 0 0 0 0 0 0 0
13.7620 20.2300 62.1210 O 0 0 0 0 0 0 0 0 0 0 0 0
11.9380 18.3450 64.0180 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9630 19.1340 64.3110 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4830 21.1820 60.5180 N 0 0 0 0 0 0 0 0 0 0 0 0
13.9840 22.0210 58.4990 P 0 0 1 0 0 0 0 0 0 0 0 0
14.1209 20.1098 59.8222 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0452 19.6068 57.5863 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5516 20.4026 58.2187 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3891 18.7761 59.9703 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9373 18.0028 59.4179 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4279 18.2128 57.7653 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8936 16.7746 58.7623 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4856 17.9452 56.4453 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9436 16.5309 57.4257 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4989 16.4640 56.3868 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7665 20.5438 55.5690 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5026 20.8040 53.2126 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7048 21.8211 52.7052 H 0 0 0 0 0 0 0 0 0 0 0 0
18.1789 22.5870 54.5433 H 0 0 0 0 0 0 0 0 0 0 0 0
17.4450 22.3395 56.9028 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0658 21.2543 64.8204 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7572 20.5695 64.5528 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8656 21.4978 62.4257 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2711 22.4677 63.1487 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1947 22.4925 60.0369 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5112 19.9802 64.2737 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6440 21.7243 60.3121 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0
1 22 1 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
22 12 1 0
12 19 2 0
12 14 1 0
14 13 1 0
13 15 1 0
15 20 2 0
15 21 1 0
23 16 2 0
23 17 1 1
23 18 1 0
18 11 1 0
11 10 1 0
11 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
1 24 1 1
2 25 1 6
2 26 1 0
3 27 1 1
3 28 1 0
4 29 1 6
4 30 1 0
5 31 1 6
5 32 1 0
5 33 1 0
6 34 1 0
7 35 1 0
8 36 1 0
9 37 1 0
10 38 1 0
13 39 1 1
13 40 1 0
14 41 1 6
14 42 1 0
17 43 1 0
21 44 1 0
22 45 1 0
M END