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@<TRIPOS>MOLECULE
MOL
24 25 1 0 0
SMALL
bcc
@<TRIPOS>ATOM
1 C 13.1530 9.8230 22.6280 ca 0 MOL -0.003900
2 C1 14.2060 10.5080 22.0330 ca 0 MOL 0.143100
3 C2 15.4940 9.9820 22.0770 ca 0 MOL -0.149000
4 C3 15.7330 8.7450 22.6720 ca 0 MOL 0.046400
5 C4 14.6610 8.0350 23.2110 ca 0 MOL -0.150000
6 C5 13.3780 8.5800 23.2090 ca 0 MOL -0.099000
7 O 11.9180 10.3960 22.6590 os 0 MOL -0.245200
8 O1 13.9370 11.6570 21.4250 oh 0 MOL -0.485100
9 C6 11.0060 10.1200 21.6780 ca 0 MOL 0.111100
10 C7 9.6700 10.4520 21.9220 ca 0 MOL 0.004400
11 C8 8.7010 10.1650 20.9640 ca 0 MOL -0.101000
12 C9 9.0390 9.5610 19.7570 ca 0 MOL 0.001400
13 C10 10.3760 9.2720 19.4960 ca 0 MOL -0.096000
14 C11 11.3530 9.5440 20.4500 ca 0 MOL -0.164000
15 Cl 9.1880 11.1940 23.4550 cl 0 MOL -0.057400
16 Cl1 7.8250 9.1590 18.6090 cl 0 MOL -0.079400
17 Cl2 17.3760 8.0900 22.7490 cl 0 MOL -0.080400
18 H 16.3270 10.5260 21.6360 ha 0 MOL 0.171000
19 H1 14.8430 7.0660 23.6740 ha 0 MOL 0.155000
20 H2 12.5470 8.0450 23.6670 ha 0 MOL 0.156000
21 H3 12.9510 11.6630 21.3150 ho 0 MOL 0.441000
22 H4 7.6590 10.4040 21.1730 ha 0 MOL 0.166000
23 H5 10.6470 8.8160 18.5450 ha 0 MOL 0.156000
24 H6 12.3830 9.2850 20.2210 ha 0 MOL 0.159000
@<TRIPOS>BOND
1 1 2 ar
2 1 6 ar
3 1 7 1
4 2 3 ar
5 2 8 1
6 3 4 ar
7 3 18 1
8 4 5 ar
9 4 17 1
10 5 6 ar
11 5 19 1
12 6 20 1
13 7 9 1
14 8 21 1
15 9 10 ar
16 9 14 ar
17 10 11 ar
18 10 15 1
19 11 12 ar
20 11 22 1
21 12 13 ar
22 12 16 1
23 13 14 ar
24 13 23 1
25 14 24 1
@<TRIPOS>SUBSTRUCTURE
1 MOL 1 TEMP 0 **** **** 0 ROOT
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