ATOM 29
1 C8y C 29.4164 -12.5505
2 C8y C 29.4164 -13.9501
3 N4x N 28.2035 -11.8508
4 C8x C 30.6294 -11.8508
5 C8y C 28.2035 -14.6498
6 C8x C 30.6294 -14.6498
7 C8y C 26.9906 -12.5505
8 C8x C 31.8423 -12.5505
9 N4y N 26.9906 -13.9501
10 O5x O 28.2035 -16.0494
11 C8x C 31.8423 -13.9501
12 S0 S 25.7776 -11.8508
13 C1b C 25.7776 -14.6498
14 C1b C 24.5647 -13.9501
15 N1y N 23.3518 -14.6498
16 C1x C 22.1388 -13.9501
17 C1x C 23.3518 -16.0494
18 C1x C 20.9259 -14.6498
19 C1x C 22.1388 -16.7491
20 C1y C 20.9259 -16.0494
21 C5a C 19.7140 -16.7493
22 O5a O 18.5010 -16.0493
23 C8y C 19.7142 -18.1487
24 C8x C 18.5013 -18.8491
25 C8x C 18.5015 -20.2487
26 C8y C 19.7137 -20.9482
27 C8x C 20.9265 -20.2478
28 C8x C 20.9263 -18.8482
29 X F 19.7139 -22.3473
BOND 32
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 2
10 6 11 1
11 7 12 2
12 9 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 15 17 1
17 16 18 1
18 17 19 1
19 18 20 1
20 7 9 1
21 8 11 2
22 19 20 1
23 20 21 1
24 21 22 2
25 21 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 23 28 1
32 26 29 1
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