ATOM 27
1 C8x C 13.5840 -15.8947
2 C8x C 13.5840 -17.2951
3 C8x C 14.7743 -17.9953
4 C8y C 16.0347 -17.2951
5 C8y C 16.0347 -15.8947
6 C8x C 14.7743 -15.1945
7 N4y N 17.3651 -17.7152
8 C8x C 18.2053 -16.5949
9 C8y C 17.3651 -15.4745
10 C5a C 17.7852 -14.1441
11 C8y C 19.1856 -13.8641
12 C1b C 17.9253 -19.0456
13 C1b C 19.8858 -20.4460
14 C1b C 19.3257 -19.1856
15 C1b C 21.7764 -21.9164
16 C1b C 21.2862 -20.6561
17 X F 23.1768 -22.1265
18 O5a O 16.8049 -13.1639
19 C8x C 20.1053 -14.9106
20 C8x C 21.4782 -14.6360
21 C8x C 21.9268 -13.3099
22 C8y C 21.0071 -12.2633
23 C8y C 19.6343 -12.5379
24 C8x C 21.4557 -10.9372
25 C8x C 20.5315 -9.8856
26 C8x C 19.1587 -10.1601
27 C8x C 18.7101 -11.4863
BOND 30
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 2
10 5 9 1
11 9 10 1
12 10 11 1
13 7 12 1
14 13 14 1
15 12 14 1
16 15 16 1
17 13 16 1
18 15 17 1
19 10 18 2
20 11 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 11 23 1
26 22 24 1
27 24 25 2
28 25 26 1
29 26 27 2
30 23 27 1
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