ATOM 12
1 C8y C 18.4100 -13.3604
2 C5a C 18.4100 -12.0400
3 C8x C 17.2054 -14.0587
4 C8x C 19.6338 -14.0587
5 C1a C 19.6146 -11.3415
6 O5a O 17.1991 -11.3480
7 C8x C 17.2054 -15.4685
8 C8x C 19.6338 -15.4685
9 C8y C 18.4100 -16.1796
10 N2b N 18.4100 -17.5763 #+
11 O3a O 19.7481 -18.5548
12 O3a O 17.1225 -18.5548 #-
BOND 12
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 2
8 7 9 2
9 9 10 1
10 10 11 2
11 10 12 1
12 8 9 1
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