ATOM 12
1 C8x C 22.7439 -17.5477
2 C8x C 23.9372 -16.8457
3 C8y C 21.5506 -16.8457
4 C8y C 23.9372 -15.4419
5 C8x C 21.5506 -15.4419
6 C8y C 22.7439 -14.7400
7 O1a O 22.7439 -13.3361
8 O2a O 25.1558 -14.7449
9 N2b N 20.3275 -17.5450 #+
10 O3a O 19.1115 -16.8356
11 O3a O 20.3219 -18.9666 #-
12 C1a C 26.4265 -15.5850
BOND 12
1 1 2 2
2 1 3 1
3 2 4 1
4 3 5 2
5 4 6 2
6 6 7 1
7 5 6 1
8 4 8 1
9 3 9 1
10 9 10 2
11 9 11 1
12 8 12 1
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