ATOM 22
1 C1x C 23.5794 -17.7707
2 C5x C 23.5794 -19.1698
3 N1y N 24.9785 -19.1698
4 C1y C 24.9785 -17.7707
5 C1x C 26.3090 -19.6019
6 C1y C 27.1312 -18.4702
7 O2x O 26.3090 -17.3385
8 O5x O 22.5903 -20.1589
9 C1c C 28.3584 -17.7707
10 C1c C 29.5700 -18.4702
11 C6a C 30.7997 -17.7598
12 O6a O 32.0044 -18.4552
13 N1b N 29.5701 -19.8696
14 O6a O 30.7993 -16.3717
15 C5a C 30.7641 -20.5593
16 O5a O 31.9422 -19.8795
17 C1c C 30.7644 -21.9796
18 N1a N 31.9510 -22.6649
19 C1c C 29.5263 -22.6949
20 C1a C 28.3177 -21.9974
21 C1a C 29.5268 -24.0799
22 O1a O 28.3621 -16.3801
BOND 23
1 1 2 1
2 2 3 1
3 3 4 1
4 1 4 1
5 3 5 1
6 5 6 1
7 6 7 1
8 4 7 1
9 2 8 2
10 6 9 1 #Up
11 9 10 1
12 10 11 1
13 11 12 1
14 10 13 1 #Up
15 11 14 2
16 13 15 1
17 15 16 2
18 15 17 1
19 17 18 1 #Up
20 17 19 1
21 19 20 1
22 19 21 1
23 9 22 1
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