ATOM 23
1 C8y C 22.7931 -16.4995
2 C8y C 21.5827 -15.8035
3 O2x O 23.9276 -15.6748
4 C8x C 23.2259 -17.8327
5 C8x C 20.3722 -16.4995
6 C8x C 21.5827 -14.4001
7 C8y C 25.0620 -16.4995
8 C8x C 24.6293 -17.8327
9 C8x C 19.1618 -15.8035
10 C8x C 20.3722 -13.7044
11 C2b C 26.2723 -15.8035
12 C8y C 19.1618 -14.4001
13 N2b N 27.4886 -16.4995
14 N2b N 17.9456 -13.7044 #+
15 N1y N 28.6991 -15.8035
16 O3a O 16.7352 -14.4001
17 O3a O 17.9514 -12.3009 #-
18 C1x C 30.0301 -16.2443
19 C5x C 28.7198 -14.3923
20 C5x C 30.8660 -15.1220
21 N1x N 30.0560 -13.9813
22 O5x O 27.6033 -13.5559
23 O5x O 32.2652 -15.1396
BOND 25
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 6 10 2
10 7 11 1
11 9 12 2
12 11 13 2
13 12 14 1
14 13 15 1
15 14 16 2
16 14 17 1
17 15 18 1
18 15 19 1
19 18 20 1
20 19 21 1
21 19 22 2
22 20 23 2
23 7 8 2
24 10 12 1
25 20 21 1
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