ATOM 40
1 C8y C 15.8746 -16.7133
2 S2x S 17.0631 -17.5523
3 C8y C 18.1818 -16.6434
4 N5x N 17.6924 -15.3150
5 N5x N 16.2941 -15.3849
6 C1d C 14.6860 -17.4824
7 X F 15.4551 -18.6010
8 X F 13.4276 -16.8531
9 N1b N 19.3703 -17.3425
10 C5a C 20.6288 -16.6434
11 C2c C 21.8173 -17.3425
12 O5a O 20.6288 -15.2451
13 C2b C 23.0758 -16.6434
14 C8y C 24.2643 -17.4124
15 C3b C 21.8173 -18.7408
16 N3a N 21.8173 -20.1391
17 C8x C 24.2643 -18.8107
18 C8x C 25.4529 -19.5099
19 C8y C 26.7114 -18.8107
20 C8y C 26.7114 -17.4124
21 C8x C 25.4529 -16.7133
22 O2a O 27.8999 -16.6434
23 O2a O 27.8999 -19.5099
24 C1a C 29.0885 -17.3425
25 C1b C 29.0885 -18.8107
26 C8y C 30.2770 -19.5099
27 C8x C 31.4656 -21.6073
28 C8y C 32.6541 -20.9082
29 C8x C 32.6541 -19.5099
30 C8y C 31.3957 -18.8107
31 C8x C 30.2770 -20.9082
32 C1d C 31.3957 -17.4124
33 C1d C 33.8427 -21.6073
34 X F 33.8427 -23.0056
35 X F 34.5418 -20.4188
36 X F 35.2410 -21.9569
37 X F 30.6965 -16.2015
38 X F 32.0948 -16.2015
39 X F 32.7940 -17.4124
40 X F 13.6973 -18.4711
BOND 42
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 1 5 2
6 1 6 1
7 6 7 1
8 6 8 1
9 3 9 1
10 9 10 1
11 10 11 1
12 10 12 2
13 11 13 2
14 13 14 1
15 11 15 1
16 15 16 3
17 14 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 20 21 1
22 14 21 2
23 20 22 1
24 19 23 1
25 22 24 1
26 23 25 1
27 25 26 1
28 27 28 2
29 28 29 1
30 29 30 2
31 30 26 1
32 26 31 2
33 27 31 1
34 30 32 1
35 28 33 1
36 33 34 1
37 33 35 1
38 33 36 1
39 32 37 1
40 32 38 1
41 32 39 1
42 6 40 1
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