ATOM 13
1 C8x C 7.6300 -18.0600
2 C8x C 7.6300 -19.4600
3 C8x C 8.8424 -20.1600
4 C8y C 10.0549 -19.4600
5 C8y C 10.0549 -18.0600
6 C8x C 8.8424 -17.3600
7 N5y N 11.2673 -20.1600 #+
8 C8y C 12.4797 -19.4600
9 N5x N 12.4797 -18.0600
10 N5y N 11.2673 -17.3600 #+
11 O3a O 11.2673 -21.5600 #-
12 O3a O 11.2673 -15.9600 #-
13 N1a N 13.6773 -20.1515
BOND 14
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 9 10 2
11 5 10 1
12 7 11 1
13 10 12 1
14 8 13 1
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