ATOM 18
1 C1y C 26.8444 -18.8646
2 O2x O 25.6301 -18.1699
3 C1y C 26.8444 -20.2717
4 O2a O 28.0471 -18.1640
5 C1y C 24.4098 -18.8646
6 C1y C 25.6301 -20.9782
7 O1a O 28.0471 -20.9782
8 C1b C 29.2616 -18.8529
9 C1y C 24.4098 -20.2717
10 C1b C 23.2012 -18.1699
11 O1a O 25.6184 -22.3795
12 C1b C 30.4760 -18.1523
13 O1a O 23.1952 -20.9666
14 O1a O 21.9866 -18.8589
15 C1b C 31.6905 -18.8472
16 N2b N 32.8991 -18.1465 #+
17 O3a O 32.8874 -16.7453
18 O3a O 34.1077 -18.8413 #-
BOND 18
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 1
15 15 16 1
16 16 17 2
17 16 18 1
18 6 9 1
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