ATOM 17
1 C8x C 18.5500 -17.6400
2 C8x C 18.5500 -19.0400
3 C8y C 19.7624 -19.7400
4 C8x C 20.9749 -19.0400
5 C8y C 20.9749 -17.6400
6 C8y C 19.7624 -16.9400
7 N2b N 19.7624 -21.1398 #+
8 O3a O 18.5332 -21.8497
9 O3a O 20.9580 -21.8302 #-
10 O2a O 22.2124 -16.9400
11 C1b C 23.4249 -17.6400
12 C1b C 24.6373 -16.9400
13 O1a O 25.8497 -17.6400
14 N1b N 19.7624 -15.5402
15 C1b C 20.9580 -14.8498
16 C1b C 22.1452 -15.5352
17 O1a O 23.3366 -14.8472
BOND 17
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 3 7 1
8 7 8 2
9 7 9 1
10 5 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 6 14 1
15 14 15 1
16 15 16 1
17 16 17 1
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