ATOM 31
1 C8y C 20.9612 -19.8012
2 N5x N 22.0918 -20.5785
3 C8y C 23.2225 -19.8012
4 C8y C 22.7985 -18.4585
5 S2x S 21.4558 -18.4585
6 C8y C 19.7599 -20.5078
7 C1b C 24.0705 -17.7518
8 S2a S 25.2718 -18.4585
9 C8y C 26.4731 -17.7518
10 C8x C 27.6745 -18.4585
11 C8y C 28.9464 -17.7518
12 C8y C 28.9464 -16.3385
13 C8x C 27.7451 -15.6319
14 C8x C 26.4731 -16.3385
15 O2a O 30.1478 -15.6319
16 C1b C 31.3491 -16.3385
17 C6a C 32.5504 -15.6319
18 O6a O 33.7517 -16.3385
19 O6a O 32.5504 -14.2185
20 C8x C 17.2865 -20.5078
21 C8y C 17.2865 -21.9211
22 C8y C 18.4879 -22.6278
23 C8x C 19.7599 -21.9211
24 C8x C 18.4879 -19.8012
25 X F 18.4879 -24.0411
26 C1d C 16.0852 -22.6278
27 X F 14.8839 -21.9211
28 X F 16.4386 -23.9705
29 X F 15.0959 -23.6171
30 C1a C 30.1904 -18.4835
31 C1a C 24.5647 -20.2628
BOND 33
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 1 5 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 9 14 2
16 12 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 17 19 2
21 20 21 1
22 21 22 2
23 22 23 1
24 23 6 2
25 6 24 1
26 20 24 2
27 22 25 1
28 21 26 1
29 26 27 1
30 26 28 1
31 26 29 1
32 11 30 1
33 3 31 1
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