ATOM 18
1 C1x C 22.4415 -16.6575
2 C1x C 22.4415 -18.0524
3 C5x C 23.6524 -18.7499
4 C2x C 23.6524 -15.9601
5 C2y C 24.8562 -16.6575
6 N1y N 24.8503 -18.0524
7 C1x C 26.0553 -18.7549
8 C1y C 27.2662 -18.0627
9 C1x C 27.2722 -16.6678
10 C1y C 26.0671 -15.9652
11 C1x C 27.2672 -15.2555
12 O5x O 23.6390 -20.1447
13 N1y N 28.4789 -15.9390
14 C1y C 28.4648 -17.3550
15 C1x C 29.6840 -18.0751
16 C1x C 30.9174 -17.3793
17 C1x C 30.9315 -15.9633
18 C1x C 29.7123 -15.2430
BOND 21
1 8 9 1 #Up
2 10 9 1 #Up
3 10 5 1
4 10 11 1
5 8 14 1
6 11 13 1
7 1 2 1
8 3 12 2
9 2 3 1
10 3 6 1
11 5 4 2
12 4 1 1
13 5 6 1
14 6 7 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 13 1
21 7 8 1
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