ATOM 30
1 N5x N 9.6600 -19.1800
2 C8y C 9.6600 -20.5800
3 C8x C 10.8724 -21.2800
4 C8y C 12.0849 -20.5800
5 N5x N 12.0849 -19.1800
6 C8y C 10.8724 -18.4800
7 O2a O 10.8724 -17.0802
8 C1c C 9.6432 -16.3703
9 C1a C 8.4392 -17.0654
10 C1a C 9.6434 -14.9801
11 C1d C 8.4476 -21.2800
12 X F 7.2521 -20.5896
13 X F 8.4475 -22.6798
14 X F 7.2351 -21.9800
15 O2a O 13.3224 -21.2800
16 C1b C 14.5349 -20.5800
17 C8y C 15.7473 -21.2800
18 C8x C 15.7473 -22.6800
19 C8x C 16.9597 -23.3800
20 C8x C 18.1722 -22.6800
21 C8x C 18.1722 -21.2800
22 C8y C 16.9597 -20.5800
23 C2c C 16.9597 -19.1801
24 C7a C 15.7325 -18.4715
25 C2b C 18.1574 -18.4886
26 O2a O 19.3455 -19.1747
27 C1a C 20.5364 -18.4870
28 O7a O 14.5296 -19.1660
29 C1a C 13.3461 -18.4826
30 O6a O 15.7327 -17.0801
BOND 31
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 6 7 1
8 7 8 1
9 8 9 1
10 8 10 1
11 2 11 1
12 11 12 1
13 11 13 1
14 11 14 1
15 4 15 1
16 15 16 1
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 20 21 1
22 21 22 2
23 17 22 1
24 22 23 1
25 23 24 1
26 23 25 2
27 25 26 1
28 26 27 1
29 24 28 1
30 28 29 1
31 24 30 2
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