ATOM 35
1 C8y C 22.3300 -16.3100
2 C8y C 22.3300 -17.7100
3 C8y C 23.5200 -18.4100
4 C8y C 24.7100 -17.7100
5 C8y C 24.7100 -16.3100
6 S2x S 23.5200 -15.6100
7 C8x C 21.1400 -15.6100
8 C8x C 19.8800 -16.3100
9 C8x C 19.8800 -17.7100
10 C8x C 21.1400 -18.4100
11 O5x O 25.9000 -15.6100
12 O1a O 23.5200 -19.8100
13 C1y C 25.9000 -18.4100
14 C8y C 25.9000 -19.8100
15 C8y C 27.1600 -20.5100
16 C1x C 28.3500 -19.8100
17 C1y C 28.3500 -18.4100
18 C1x C 27.1600 -17.7100
19 C8x C 24.7100 -20.5100
20 C8x C 24.7100 -21.8400
21 C8x C 25.9000 -22.5400
22 C8x C 27.1600 -21.8400
23 C8y C 29.5400 -17.7100
24 C8x C 30.7300 -18.4100
25 C8x C 31.9900 -17.7100
26 C8y C 31.9900 -16.3100
27 C8x C 30.8000 -15.6100
28 C8x C 29.5400 -16.3100
29 C8y C 33.1800 -15.6100
30 C8x C 34.3700 -16.3100
31 C8x C 35.6300 -15.6100
32 C8y C 35.6300 -14.2100
33 C8x C 34.4400 -13.5100
34 C8x C 33.1800 -14.2100
35 X Br 36.8200 -13.5100
BOND 40
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 2 10 2
12 5 11 2
13 3 12 1
14 4 13 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 13 18 1
21 14 19 2
22 19 20 1
23 20 21 2
24 21 22 1
25 15 22 2
26 17 23 1
27 23 24 2
28 24 25 1
29 25 26 2
30 26 27 1
31 27 28 2
32 23 28 1
33 26 29 1
34 29 30 2
35 30 31 1
36 31 32 2
37 32 33 1
38 33 34 2
39 29 34 1
40 32 35 1
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