ATOM 17
1 C8x C 16.3800 -18.0600
2 C8y C 16.3800 -19.4600
3 C8x C 17.5924 -20.1600
4 C8x C 18.8049 -19.4600
5 C8y C 18.8049 -18.0600
6 C8y C 17.5924 -17.3600
7 N2b N 15.1676 -20.1600 #+
8 N1b N 17.5924 -15.9602
9 C5a C 18.8048 -15.2602
10 C1a C 20.0359 -15.9712
11 O5a O 18.8049 -13.8602
12 O2a O 20.0360 -17.3490
13 C1b C 21.2412 -18.0447
14 C1b C 22.4235 -17.3619
15 C1a C 23.6175 -18.0512
16 O3a O 13.9721 -19.4696 #-
17 O3a O 15.1675 -21.5598
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 2 7 1
8 6 8 1
9 8 9 1
10 9 10 1
11 9 11 2
12 5 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 7 16 1
17 7 17 2
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