ATOM 20
1 C8y C 12.2500 -15.9600
2 C8x C 12.2500 -17.3600
3 C8x C 13.4624 -18.0600
4 C8x C 14.6749 -17.3600
5 C8y C 14.6749 -15.9600
6 C8x C 13.4624 -15.2600
7 N1b N 15.9060 -15.2490
8 C5a C 17.1112 -15.9447
9 N1c N 18.2935 -15.2619
10 C1a C 19.4875 -15.9512
11 C1a C 18.2935 -13.8602
12 O5a O 17.1116 -17.3596
13 N1b N 11.0376 -15.2600
14 C7a C 9.8421 -15.9504
15 O6a O 9.8420 -17.3597
16 O7a O 8.6548 -15.2648
17 C1d C 7.4634 -15.9527
18 C1a C 6.2510 -16.6527
19 C1a C 8.1729 -17.1821
20 C1a C 6.7735 -14.7573
BOND 20
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 5 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 9 11 1
12 8 12 2
13 1 13 1
14 13 14 1
15 14 15 2
16 14 16 1
17 16 17 1
18 17 18 1
19 17 19 1
20 17 20 1
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