ATOM 19
1 C1y C 25.9114 -16.4754
2 C1y C 27.0952 -15.7914
3 C1z C 23.5799 -16.4745
4 C1y C 24.7479 -15.7885
5 C1y C 22.3944 -15.7885
6 O2x O 22.4002 -17.1666
7 C1a C 23.5625 -17.8340
8 C1z C 24.7538 -14.4292
9 C1x C 22.3944 -14.4292
10 C1y C 23.5799 -13.7501
11 C1x C 25.9322 -13.7561
12 C1a C 24.8121 -12.9299
13 C1x C 27.1061 -14.4409
14 O1a O 23.5625 -12.3908
15 O7x O 26.1961 -17.8126
16 C7x C 27.5558 -17.9551
17 C2y C 28.1115 -16.7059
18 C2a C 29.5028 -16.4093
19 O6a O 28.2773 -19.2040
BOND 22
1 3 4 1
2 3 5 1
3 3 6 1
4 3 7 1 #Up
5 4 1 1
6 4 8 1
7 5 9 1
8 8 10 1
9 8 11 1
10 8 12 1 #Up
11 2 13 1
12 10 14 1 #Down
13 5 6 1
14 9 10 1
15 11 13 1
16 2 1 1
17 1 15 1
18 15 16 1
19 16 17 1
20 2 17 1
21 17 18 2
22 16 19 2
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