ATOM 31
1 C8x C 11.3400 -15.6800
2 C8y C 11.3400 -17.0800
3 C8x C 12.5524 -17.7800
4 C8x C 13.7649 -17.0800
5 C8y C 13.7649 -15.6800
6 C8x C 12.5524 -14.9800
7 C5a C 15.0024 -14.9800
8 C1b C 16.2149 -15.6800
9 C1b C 17.4273 -14.9800
10 C1b C 18.6397 -15.6800
11 N2y N 19.8522 -14.9800 #+
12 O5a O 15.0086 -13.5803
13 X F 10.1276 -17.7800
14 C1x C 21.0853 -15.6922
15 C1x C 22.2979 -14.9924
16 C1z C 22.2981 -13.5924
17 C1x C 21.0650 -12.8802
18 C1x C 19.8524 -13.5800
19 C8y C 23.5399 -12.8756
20 C8x C 24.7391 -13.5683
21 C8y C 25.9517 -12.8685
22 C8y C 25.9520 -11.4685
23 C8x C 24.7527 -10.7758
24 C8x C 23.5402 -11.4756
25 X Cl 27.1729 -10.7637
26 O1a O 23.5105 -14.2924
27 C1d C 27.1827 -13.5795
28 X F 28.3951 -14.2795
29 X F 27.8827 -12.3671
30 X F 26.4827 -14.7920
31 X Cl 19.6700 -11.4800 #-
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 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 7 12 2
13 2 13 1
14 11 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 11 18 1
20 16 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 19 24 1
27 22 25 1
28 16 26 1
29 21 27 1
30 27 28 1
31 27 29 1
32 27 30 1
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