ATOM 21
1 C8x C 22.8633 -21.4232
2 C8x C 23.4291 -22.7072
3 C8x C 24.8262 -22.8546
4 C8x C 23.6946 -20.2862
5 C8y C 25.0881 -20.4429
6 C8y C 25.6500 -21.7324
7 N4x N 27.0496 -21.5947 #-
8 C8y C 26.1394 -19.5055
9 C8y C 27.3422 -20.2244
10 C8x C 27.3774 -17.4178
11 C8x C 26.0838 -18.1036
12 N5y N 28.5865 -18.1341 #+
13 C8y C 28.5601 -19.5346
14 C8x C 29.7629 -20.2537
15 C8x C 29.8093 -17.4555
16 C8y C 31.0058 -18.1773
17 C8y C 30.9832 -19.5693
18 C1x C 32.1798 -20.2877
19 C1x C 33.3988 -19.6140
20 C1x C 32.2246 -17.5036
21 C1x C 33.4193 -18.2244
BOND 25
1 8 9 2
2 9 13 1
3 12 10 1
4 10 11 2
5 11 8 1
6 1 2 1
7 2 3 2
8 5 6 2
9 6 7 1
10 12 13 2
11 13 14 1
12 14 17 2
13 16 15 2
14 15 12 1
15 7 9 1
16 8 5 1
17 3 6 1
18 5 4 1
19 16 17 1
20 17 18 1
21 18 19 1
22 19 21 1
23 20 16 1
24 4 1 2
25 20 21 1
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