ATOM 23
1 C8x C 12.0400 -22.8900
2 C8x C 12.0400 -24.2900
3 C8x C 13.2524 -24.9900
4 C8y C 14.4649 -24.2900
5 C8y C 14.4649 -22.8900
6 C8x C 13.2524 -22.1900
7 N2x N 15.7964 -24.7226
8 C2x C 16.6193 -23.5900
9 C1z C 15.7964 -22.4574
10 C2b C 16.7863 -21.4674
11 C2b C 18.1570 -21.8344
12 N3a N 18.5192 -23.1848 #+
13 C3a C 19.0215 -24.7471 #-
14 C1b C 15.8219 -21.0700
15 C2b C 14.6104 -20.3684
16 C2c C 14.6123 -18.9684
17 C1b C 13.4008 -18.2667
18 C1b C 13.4027 -16.8667
19 C2b C 12.1913 -16.1651
20 C2c C 12.1932 -14.7651
21 C1a C 10.9817 -14.0634
22 C1a C 15.8382 -18.2627
23 C1a C 13.3945 -14.0736
BOND 24
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 2
13 11 12 1
14 12 13 3
15 9 14 1
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 2
22 20 21 1
23 16 22 1
24 20 23 1
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