ATOM 28
1 C8y C 28.2001 -15.3634
2 N1y N 29.4623 -14.7669
3 C1y C 30.7236 -15.3759
4 C1x C 31.0299 -16.7320
5 C8y C 27.8850 -16.7368
6 N2x N 30.1606 -17.8329
7 C2y C 28.7591 -17.8310
8 C8x C 27.1749 -14.4100
9 C8x C 25.8365 -14.8210
10 C8x C 25.5213 -16.1944
11 C8x C 26.5466 -17.1480
12 C8y C 28.1455 -19.1040
13 C8x C 26.7454 -19.1040
14 C8x C 26.0454 -20.3166
15 C8x C 26.7454 -21.5290
16 C8x C 28.1455 -21.5290
17 C8y C 28.8455 -20.3166
18 X F 30.2417 -20.3165
19 C1a C 29.4681 -13.3715
20 C1b C 31.9443 -14.7016
21 N1b N 33.1569 -15.4016
22 C5a C 34.3694 -14.7016
23 C8y C 35.5819 -15.4016
24 O5a O 34.3694 -13.3015
25 C8x C 35.5819 -16.8016
26 S2x S 36.9134 -17.2343
27 C8x C 37.7363 -16.1016
28 C8x C 36.9134 -14.9690
BOND 31
1 3 4 1
2 1 5 2
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 2
8 1 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 5 11 1
13 7 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 12 17 1
20 17 18 1
21 2 19 1
22 3 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 22 24 2
27 23 25 2
28 25 26 1
29 26 27 1
30 27 28 2
31 23 28 1
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