ATOM 25
1 C8y C 27.1459 -16.5757
2 C8y C 27.1459 -17.9745
3 C8y C 28.3573 -18.6739
4 C8y C 29.5688 -17.9745
5 C8y C 29.5688 -16.5757
6 N5x N 28.3573 -15.8763
7 C5a C 30.8053 -18.6739
8 S2a S 32.0167 -17.9745
9 C1a C 33.2281 -18.6739
10 C5a C 25.9346 -18.6739
11 S2a S 24.7231 -17.9745
12 C1a C 23.5117 -18.6739
13 O5a O 25.9346 -20.0026
14 O5a O 30.8114 -19.8625
15 C1b C 28.3574 -20.0900
16 C1c C 29.5643 -20.7868
17 C1a C 29.5643 -22.1868
18 C1a C 30.7570 -20.7980
19 C1c C 25.9502 -15.8854
20 X F 24.7508 -16.5782
21 X F 25.9501 -14.4901
22 C1d C 30.7534 -15.8917
23 X F 31.9475 -16.5812
24 X F 30.7534 -14.4902
25 X F 31.9658 -15.1917
BOND 25
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 2 10 1
11 10 11 1
12 11 12 1
13 10 13 2
14 7 14 2
15 3 15 1
16 15 16 1
17 16 17 1
18 16 18 1
19 1 19 1
20 19 20 1
21 19 21 1
22 5 22 1
23 22 23 1
24 22 24 1
25 22 25 1
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