ATOM 18
1 C1x C 22.9306 -15.5763
2 C1x C 22.9306 -16.9785
3 C1x C 24.1225 -17.6797
4 N1y N 25.3144 -16.9785
5 C1x C 26.5063 -17.6797
6 C1x C 27.7684 -16.9785
7 C1x C 27.7684 -15.5763
8 C1y C 24.1225 -14.8752
9 C1y C 25.3144 -15.5763
10 C1y C 26.5764 -14.8752
11 C1x C 24.1225 -13.4729
12 N1y N 25.3144 -12.7718
13 C1y C 26.5764 -13.4729
14 C1x C 27.7684 -12.7718
15 C1x C 27.7684 -11.4396
16 C1x C 26.5764 -10.6684
17 C5x C 25.3145 -11.3695
18 O5x O 24.1225 -10.6684
BOND 21
1 9 10 1
2 10 13 1
3 12 11 1
4 11 8 1
5 3 4 1
6 9 4 1
7 4 5 1
8 5 6 1
9 6 7 1
10 7 10 1
11 12 13 1
12 13 14 1
13 14 15 1
14 15 16 1
15 16 17 1
16 17 12 1
17 8 1 1
18 17 18 2
19 1 2 1
20 2 3 1
21 8 9 1
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