ATOM 13
1 C1b C 19.0169 -15.1173
2 C1b C 17.8051 -15.8134
3 C1b C 20.2288 -15.8134
4 C1b C 16.5869 -15.1173
5 C1b C 21.4469 -15.1173
6 C1b C 15.3751 -15.8134
7 C1b C 22.6588 -15.8134
8 C1b C 14.1633 -15.1173
9 C6a C 23.8706 -15.1173
10 C1b C 12.9451 -15.8134
11 O6a O 25.0888 -15.8134
12 O6a O 23.8706 -13.7122
13 O1a O 11.7332 -15.1173
BOND 12
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 5 7 1
7 6 8 1
8 7 9 1
9 8 10 1
10 9 11 1
11 9 12 2
12 10 13 1
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