ATOM 13
1 C8y C 18.1546 -13.8998
2 C8x C 17.0009 -14.5689
3 C8x C 19.3270 -14.5689
4 N1b N 18.1486 -12.5619
5 C8x C 17.0009 -15.9128
6 C8x C 19.3270 -15.9128
7 C5a C 19.3085 -11.8928
8 C8y C 18.1546 -16.6002
9 O5a O 19.3331 -10.6838
10 R R 20.4624 -12.5556
11 N2b N 18.1486 -17.9321 #+
12 O3a O 19.4865 -18.9866
13 O3a O 16.8133 -18.9374 #-
BOND 13
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 2
6 4 7 1
7 5 8 2
8 7 9 2
9 7 10 1
10 8 11 1
11 11 12 2
12 11 13 1
13 6 8 1
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