ATOM 19
1 C1y C 25.3680 -15.5138
2 O2x O 24.1509 -14.8173
3 C1y C 25.3680 -16.9299
4 O1a O 26.5793 -14.8173
5 C1y C 22.9278 -15.5138
6 C1y C 24.1509 -17.6262
7 O1a O 26.5793 -17.6965
8 C1y C 22.9278 -16.9299
9 C1b C 21.7106 -14.8115
10 O1a O 24.1566 -19.0365
11 O1a O 21.7106 -17.6322
12 O7a O 20.4933 -15.5138
13 C7a C 19.2976 -14.8400
14 C2c C 18.0851 -15.5400
15 C1b C 16.8727 -14.8400
16 C1b C 15.6603 -15.5400
17 O1a O 14.4478 -14.8400
18 O6a O 19.2902 -13.4403
19 C2a C 18.0851 -16.9398
BOND 19
1 1 2 1
2 1 3 1
3 1 4 1 #Either
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 5 8 1
8 5 9 1 #Up
9 6 10 1 #Up
10 8 11 1 #Down
11 9 12 1
12 6 8 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 13 18 2
19 14 19 2
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