ATOM 31
1 C8x C 18.3971 -20.3849
2 C8x C 18.3971 -21.7658
3 C8x C 19.5930 -22.4563
4 C8x C 20.7890 -21.7658
5 C8y C 20.7890 -20.3849
6 C8x C 19.5930 -19.6945
7 C1b C 23.1807 -21.7658
8 N1c N 23.1807 -20.3849
9 S4a S 21.9849 -19.6945
10 C8x C 25.5726 -20.3849
11 C8y C 24.3766 -19.6945
12 C8x C 26.7684 -19.6945
13 C8y C 26.7684 -18.3134
14 C8x C 25.5726 -17.6230
15 C8x C 24.3766 -18.3134
16 O3c O 21.2849 -18.4820
17 O3c O 22.9748 -18.7045
18 C1d C 24.3869 -22.4622
19 X F 25.5757 -21.7758
20 X F 24.3871 -23.8697
21 X F 25.5993 -23.1622
22 C1d C 27.9481 -17.6326
23 C1d C 29.1499 -18.3269
24 C1d C 27.9483 -16.2401
25 O1a O 29.1605 -16.9326
26 X F 29.1471 -15.5481
27 X F 26.7223 -15.5319
28 X F 27.9483 -14.8401
29 X F 30.4044 -17.8534
30 X F 29.1498 -19.7397
31 X F 30.3623 -19.0269
BOND 32
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 7 8 1
8 8 9 1
9 5 9 1
10 10 11 2
11 8 11 1
12 10 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 11 15 1
17 9 16 2
18 9 17 2
19 7 18 1
20 18 19 1
21 18 20 1
22 18 21 1
23 13 22 1
24 22 23 1
25 22 24 1
26 22 25 1
27 24 26 1
28 24 27 1
29 24 28 1
30 23 29 1
31 23 30 1
32 23 31 1
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