ATOM 18
1 N1y N 30.4360 -18.4788
2 C1y C 30.4360 -19.8752
3 C1x C 29.2207 -17.7720
4 C1x C 31.6453 -17.7837
5 C5x C 29.2207 -20.5762
6 C1x C 31.6453 -20.5762
7 C1y C 28.0057 -18.4671
8 C1x C 32.8487 -18.4788
9 N1x N 28.0057 -19.8692
10 O5x O 29.2033 -21.9841
11 C1x C 32.8487 -19.8752
12 C1b C 26.7904 -17.7720
13 C8y C 25.5813 -18.4614
14 C8x C 24.3720 -17.7661
15 C8x C 25.5813 -19.8692
16 C8x C 23.1567 -18.4614
17 C8x C 24.3720 -20.5703
18 C8x C 23.1567 -19.8692
BOND 20
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 2
10 6 11 1
11 7 12 1
12 12 13 1
13 13 14 2
14 13 15 1
15 14 16 1
16 15 17 2
17 16 18 2
18 7 9 1
19 8 11 1
20 17 18 1
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