ATOM 17
1 C5x C 27.5702 -6.0491
2 N1y N 27.5702 -7.4557
3 N2b N 26.3747 -8.1590
4 C2b C 25.1791 -7.5260
5 C8y C 23.9835 -8.1590
6 O2x O 22.8584 -7.3854
7 C8y C 21.7331 -8.1590
8 C8x C 22.1551 -9.4952
9 C8x C 23.4912 -9.4952
10 N2b N 20.4672 -7.4557 #+
11 O3a O 19.2717 -8.1590 #-
12 O3a O 20.4672 -6.0491
13 C1x C 28.9768 -7.9480
14 C1y C 29.7504 -6.7524
15 N1x N 28.9768 -5.6273
16 O5x O 26.4450 -5.2053
17 C1a C 31.1568 -6.7327
BOND 18
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 2
8 8 9 1
9 5 9 2
10 7 10 1
11 10 11 1
12 10 12 2
13 2 13 1
14 13 14 1
15 14 15 1
16 1 15 1
17 1 16 2
18 14 17 1
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