ATOM 31
1 C8x C 32.1006 -20.3001
2 C8x C 33.3085 -19.6003
3 C8x C 33.3085 -18.2007
4 C8x C 32.1006 -17.5009
5 C8y C 30.8856 -19.6003
6 C8y C 30.8824 -18.2002
7 C8y C 29.5498 -17.7707
8 C8x C 28.7297 -18.9053
9 N4y N 29.5551 -20.0360
10 C8x C 22.7485 -18.1924
11 C8x C 22.7485 -19.5920
12 C8x C 23.9635 -20.2918
13 C8x C 23.9635 -17.4926
14 C8y C 25.1714 -18.1924
15 C8y C 25.1654 -19.5954
16 N4x N 26.4980 -20.0346
17 C8x C 27.3273 -18.9029
18 C8y C 26.5074 -17.7644
19 C2y C 28.7284 -16.6374
20 C5x C 29.1640 -15.3070
21 N1x N 28.0286 -14.4814
22 C5x C 26.8933 -15.3070
23 C2y C 27.3288 -16.6374
24 O5x O 30.4958 -14.8765
25 O5x O 25.5617 -14.8765
26 C1b C 29.1257 -21.3680
27 C1b C 27.7573 -21.6622
28 C1b C 27.3279 -22.9943
29 N1c N 25.9596 -23.2884
30 C1a C 25.5302 -24.6205
31 C1a C 25.0207 -22.2505
BOND 35
1 5 6 2
2 6 7 1
3 7 8 2
4 14 15 2
5 15 16 1
6 16 17 1
7 17 18 2
8 18 14 1
9 8 9 1
10 9 5 1
11 4 6 1
12 5 1 1
13 19 20 1
14 20 21 1
15 21 22 1
16 22 23 1
17 23 19 2
18 1 2 2
19 20 24 2
20 10 11 1
21 22 25 2
22 23 18 1
23 19 7 1
24 11 12 2
25 9 26 1
26 12 15 1
27 26 27 1
28 14 13 1
29 27 28 1
30 13 10 2
31 28 29 1
32 2 3 1
33 29 30 1
34 3 4 2
35 29 31 1
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