ATOM 28
1 C8y C 20.9817 -18.6266
2 N1y N 22.1898 -17.9320
3 C8y C 20.9817 -20.0215
4 C8x C 19.7678 -17.9320
5 C8y C 23.4154 -18.6500
6 C1b C 22.1898 -16.5138
7 S2x S 22.1898 -20.7101
8 C8x C 19.7678 -20.7101
9 C8x C 18.5597 -18.6500
10 C8y C 23.4154 -19.9981
11 C8x C 24.6294 -17.9496
12 C1b C 23.4154 -15.8135
13 C8x C 18.5597 -19.9981
14 C8x C 24.6294 -20.6985
15 C8y C 25.8550 -18.6617
16 C1b C 23.4154 -14.4070
17 C8x C 25.8550 -19.9864
18 N1y N 24.6294 -13.7066
19 C1x C 24.6411 -12.3059
20 C1x C 25.8376 -14.4070
21 C1x C 25.8550 -11.6172
22 C1x C 27.0691 -13.6949
23 N1y N 27.0691 -12.3292
24 C1a C 28.3063 -11.6581
25 C1d C 27.0375 -17.9815
26 X F 28.2100 -17.2900
27 X F 27.7200 -19.1800
28 X F 26.3200 -16.8000
BOND 31
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 2
10 5 11 1
11 6 12 1
12 8 13 2
13 10 14 1
14 11 15 2
15 12 16 1
16 14 17 2
17 16 18 1
18 18 19 1
19 18 20 1
20 19 21 1
21 20 22 1
22 21 23 1
23 23 24 1
24 7 10 1
25 9 13 1
26 15 17 1
27 22 23 1
28 15 25 1
29 25 26 1
30 25 27 1
31 25 28 1
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