ATOM 23
1 C8x C 8.1200 -17.3600
2 C8x C 8.1200 -18.7600
3 C8x C 9.3324 -19.4600
4 C8y C 10.5449 -18.7600
5 C8y C 10.5449 -17.3600
6 C8x C 9.3324 -16.6600
7 O1a O 11.7760 -19.4710
8 N1y N 11.7760 -16.6490
9 C1x C 12.9812 -17.3447
10 C2x C 14.1935 -16.6446
11 C2y C 14.1935 -15.2446
12 N1x N 12.9883 -14.5489
13 C5x C 11.7759 -15.2490
14 C8y C 15.4114 -14.5412
15 C8x C 16.6234 -15.2407
16 C8x C 17.8357 -14.5406
17 C8x C 17.8355 -13.1406
18 C8y C 16.6236 -12.4410
19 C8x C 15.4112 -13.1412
20 O5x O 10.5564 -14.5449
21 N2b N 16.6229 -11.0604 #+
22 O3a O 15.3855 -10.3464 #-
23 O3a O 17.9504 -9.9539
BOND 25
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 5 8 1
9 8 9 1
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 1
14 8 13 1
15 11 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 14 19 1
22 13 20 2
23 18 21 1
24 21 22 1
25 21 23 2
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