ATOM 30
1 C8x C 13.2430 -15.4852
2 C8y C 13.2430 -16.8866
3 C8x C 14.4342 -17.5873
4 C8y C 15.6954 -16.8866
5 C8y C 15.6954 -15.4852
6 C8x C 14.4342 -14.7845
7 N5x N 17.0267 -17.3070
8 C8y C 17.7975 -16.1859
9 N4y N 17.0267 -15.0648
10 C1b C 17.4471 -13.7335
11 C1b C 18.8485 -13.4532
12 C1b C 19.1988 -16.1859
13 C8y C 19.8995 -17.3771
14 C8x C 19.1988 -18.5682
15 C8x C 19.8995 -19.8295
16 C8y C 21.3009 -19.8295
17 C8x C 22.0016 -18.6383
18 C8x C 21.3009 -17.3771
19 O2a O 22.0016 -21.0206
20 C1b C 23.4030 -21.0206
21 C1b C 24.1037 -22.2118
22 N1c N 19.2689 -12.1219
23 C1b C 20.6703 -11.8416
24 C1b C 18.3580 -11.0709
25 C1a C 18.7784 -9.7396
26 C1a C 21.0907 -10.5103
27 N2b N 12.0252 -17.5831 #+
28 O3a O 10.8211 -16.8813 #-
29 O3a O 12.0197 -18.9699
30 C1a C 25.4800 -22.2003
BOND 32
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 2
9 8 9 1
10 5 9 1
11 9 10 1
12 10 11 1
13 8 12 1
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 16 19 1
22 19 20 1
23 20 21 1
24 11 22 1
25 22 23 1
26 22 24 1
27 24 25 1
28 23 26 1
29 2 27 1
30 27 28 1
31 27 29 2
32 21 30 1
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