ATOM 18
1 C2b C 13.9300 -13.3700
2 C8y C 12.7400 -14.0000
3 O2x O 11.6200 -13.2300
4 C8y C 10.5000 -14.0000
5 C8x C 10.9200 -15.3300
6 C8x C 12.3200 -15.3300
7 N2b N 9.3100 -13.3000 #+
8 O3a O 8.0500 -14.0000 #-
9 O3a O 9.3100 -11.9000
10 C2c C 13.9441 -11.9701
11 C8y C 15.1528 -11.2883
12 C5a C 12.7284 -11.2516
13 O5a O 11.5100 -11.9387
14 N1a N 12.7425 -9.8700
15 O2x O 15.1528 -9.8883
16 C8x C 16.4843 -11.7210
17 C8x C 17.3072 -10.5883
18 C8x C 16.4843 -9.4557
BOND 19
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 2 6 2
7 4 7 1
8 7 8 1
9 7 9 2
10 1 10 2
11 10 11 1
12 10 12 1
13 12 13 2
14 12 14 1
15 11 15 1
16 11 16 2
17 16 17 1
18 17 18 2
19 15 18 1
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