ATOM 12
1 C1y C 35.8300 -15.6335
2 C1y C 35.8493 -17.0371
3 O7x O 37.0430 -14.9152
4 C1b C 34.6151 -14.9528
5 C1y C 37.0674 -17.7233
6 O1a O 34.6560 -17.7510
7 C7x C 38.2755 -15.6005
8 C1y C 38.2804 -17.0050
9 O1a O 37.0802 -19.1159
10 O6a O 39.4451 -14.8339
11 O1a O 39.4930 -17.6945
12 O1a O 33.4264 -15.6603
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 5 8 1
8 5 9 1 #Up
9 7 10 2
10 8 11 1 #Down
11 7 8 1
12 4 12 1
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