ATOM 13
1 N1y N 25.9684 -18.0795
2 C1y C 25.9624 -16.6811
3 C1y C 27.2964 -18.5066
4 C1x C 24.6344 -18.5183
5 C1y C 27.2907 -16.2423
6 C1y C 24.6284 -16.2480
7 C1y C 28.1156 -17.3715
8 C1b C 27.2907 -19.8991
9 C1x C 23.8035 -17.3891
10 O1a O 27.2847 -14.8380
11 O1a O 24.6167 -14.8440
12 O1a O 29.5082 -17.3715
13 O1a O 28.4959 -20.6012
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 #Up
10 6 11 1 #Down
11 7 12 1 #Down
12 8 13 1
13 5 7 1
14 6 9 1
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