ATOM 12
1 C1y C 25.0899 -14.6132
2 C1y C 25.0899 -16.0004
3 N1x N 26.3023 -13.9138
4 C1b C 23.8893 -13.9138
5 C1y C 26.3023 -16.6882
6 O1a O 23.8893 -16.6822
7 C1y C 27.4970 -14.6132
8 O1a O 22.6361 -14.8230
9 C1y C 27.4970 -16.0004
10 O1a O 26.2906 -18.0754
11 O1a O 28.4704 -13.6281
12 O1a O 28.6918 -16.6882
BOND 12
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 7 11 1 #Either
11 9 12 1 #Down
12 7 9 1
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