ATOM 17
1 C1y C 36.5219 -21.8625
2 O2x O 35.3591 -21.1964
3 C1y C 36.5219 -23.1888
4 O2a O 37.6848 -21.1964
5 C1y C 34.1904 -21.8625
6 C1y C 35.3591 -23.8726
7 O1a O 37.6848 -23.8726
8 C1b C 39.0928 -21.6804
9 C1y C 34.1904 -23.1888
10 C1b C 33.0510 -21.1964
11 O1a O 35.3591 -25.2106
12 N2b N 40.5707 -20.4389
13 O1a O 33.0510 -23.8726
14 O1a O 32.0225 -22.0553
15 N2b N 41.9146 -20.3922 #+
16 C1a C 42.8788 -18.9430
17 O3a O 43.1418 -21.9581 #-
BOND 17
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1 #Up
11 8 12 1
12 9 13 1 #Down
13 10 14 1
14 12 15 2
15 15 16 1
16 15 17 1
17 6 9 1
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