ATOM 20
1 C8y C 27.5150 -25.6572
2 C8x C 27.5150 -27.0583
3 C8y C 28.7321 -27.7622
4 C8y C 29.9423 -27.0583
5 C8y C 29.9423 -25.6572
6 C8y C 28.7321 -24.9602
7 N1b N 28.7340 -23.5590
8 C1c C 29.9491 -22.8566
9 C1b C 29.9509 -21.4555
10 C1b C 31.1555 -23.5621
11 C1a C 32.3706 -22.8596
12 N2b N 31.1501 -24.9610 #+
13 N2b N 26.3009 -24.9595 #+
14 C1a C 31.1501 -27.7614
15 C1a C 28.7340 -29.1634
16 O3a O 32.7788 -24.1091 #-
17 O3a O 32.3588 -25.6572
18 O3a O 26.3018 -23.5585 #-
19 O3a O 25.0863 -25.6560
20 C1a C 31.1591 -20.7600
BOND 20
1 8 10 1
2 4 5 1
3 10 11 1
4 5 6 2
5 5 12 1
6 6 1 1
7 1 13 1
8 4 14 1
9 6 7 1
10 3 15 1
11 1 2 2
12 12 16 1
13 7 8 1
14 12 17 2
15 2 3 1
16 13 18 1
17 8 9 1
18 13 19 2
19 3 4 2
20 9 20 1
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