ATOM 41
1 C8x C 5.1100 -15.5400
2 C8x C 5.1100 -16.9400
3 C8x C 6.3224 -17.6400
4 C8y C 7.5349 -16.9400
5 C8x C 7.5349 -15.5400
6 C8x C 6.3224 -14.8400
7 C5a C 8.7660 -17.6510
8 N1c N 9.9712 -16.9553
9 O5a O 8.7657 -19.0399
10 C8y C 11.1535 -17.6381
11 C1a C 9.9716 -15.5404
12 C8x C 11.1534 -19.0398
13 C8x C 12.3658 -19.7399
14 C8x C 13.5783 -19.0400
15 C8y C 13.5784 -17.6383
16 C8y C 12.3660 -16.9382
17 X F 12.3662 -15.5402
18 C5a C 14.7914 -16.9382
19 O5a O 15.9884 -17.6296
20 N1b N 14.7915 -15.5402
21 C8y C 15.9879 -14.8495
22 C8y C 17.1752 -15.5352
23 C8x C 18.3877 -14.8353
24 C8y C 18.3879 -13.4353
25 C8x C 17.2005 -12.7496
26 C8y C 15.9880 -13.4495
27 X Br 17.1752 -16.9398
28 C1d C 14.7506 -12.7348
29 X F 13.5382 -12.0348
30 X F 15.4506 -11.5223
31 X F 14.0506 -13.9472
32 C1d C 19.6148 -12.7269
33 X F 20.8272 -12.0269
34 C1d C 20.3148 -13.9393
35 C1d C 18.9148 -11.5144
36 X F 21.7000 -13.9392
37 X F 19.6152 -15.1511
38 X F 21.0070 -15.1384
39 X F 17.5004 -11.5148
40 X F 19.6261 -10.2830
41 X F 18.1960 -10.2699
BOND 43
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 7 9 2
10 8 10 1
11 8 11 1
12 10 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 10 16 1
18 16 17 1
19 15 18 1
20 18 19 2
21 18 20 1
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 24 25 1
27 25 26 2
28 21 26 1
29 22 27 1
30 26 28 1
31 28 29 1
32 28 30 1
33 28 31 1
34 24 32 1
35 32 33 1
36 32 34 1
37 32 35 1
38 34 36 1
39 34 37 1
40 34 38 1
41 35 39 1
42 35 40 1
43 35 41 1
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