ATOM 13
1 C1y C 22.2003 -16.6308
2 C1y C 22.2063 -15.2288
3 C1y C 23.5383 -17.0691
4 O2x O 20.8742 -17.0574
5 C1y C 20.8742 -14.7905
6 O2x O 23.5440 -14.7905
7 C1x C 24.3620 -15.9297
8 O2a O 23.9647 -18.3952
9 C1x C 20.0505 -15.9240
10 O1a O 20.4419 -13.4585
11 N2b N 25.3318 -18.6932 #+
12 O3a O 26.2725 -17.6591
13 O3a O 25.7583 -20.0253 #-
BOND 14
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 3 8 1 #Up
8 4 9 1
9 5 10 1 #Down
10 8 11 1
11 11 12 2
12 11 13 1
13 5 9 1
14 6 7 1
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