ATOM 20
1 C1x C 14.1400 -13.7200
2 C1y C 14.1400 -15.1200
3 C1x C 11.6900 -15.1200
4 C1x C 11.6900 -13.7200
5 C1x C 12.9500 -13.0200
6 C1x C 15.3300 -15.8200
7 C1x C 15.3300 -17.2200
8 C1x C 14.1400 -17.9200
9 C1x C 12.9500 -17.2200
10 C1x C 11.6900 -17.9200
11 C1x C 10.5000 -17.2200
12 C1x C 10.5000 -15.8200
13 N1y N 15.3300 -14.4200
14 C1x C 15.3300 -13.0200
15 C1y C 16.5900 -12.3200
16 O2x O 17.7800 -13.0200
17 C1y C 17.7800 -14.4200
18 C1x C 16.5900 -15.1200
19 C1a C 16.5900 -10.9200
20 C1a C 18.9700 -15.1200
BOND 21
1 1 2 1
2 3 4 1
3 4 5 1
4 1 5 1
5 2 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 3 12 1
13 2 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 13 18 1
20 15 19 1
21 17 20 1
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