ATOM 22
1 C1b C 29.2173 -18.0752
2 C1b C 30.4286 -17.3739
3 C1b C 31.6398 -18.0752
4 C1b C 32.8510 -17.3739
5 C1a C 34.0623 -18.0752
6 C2b C 28.0061 -17.3739
7 C2b C 24.1811 -17.3739
8 C1b C 25.3924 -18.0752
9 C2b C 26.6036 -17.3739
10 C1a C 9.4550 -18.0752
11 C1b C 10.6662 -17.3739
12 O7a O 11.8775 -18.0752
13 C7a C 13.0887 -17.3739
14 C1b C 14.3000 -18.0752
15 C1b C 15.5112 -17.3739
16 C1b C 16.7224 -18.0752
17 C1b C 17.9337 -17.3739
18 C1b C 19.1449 -18.0752
19 C1b C 20.3562 -17.3739
20 C1b C 21.5674 -18.0752
21 C2b C 22.7786 -17.3739
22 O6a O 13.0887 -15.9715
BOND 21
1 2 3 1
2 12 13 1
3 13 14 1
4 7 8 1
5 14 15 1
6 3 4 1
7 15 16 1
8 8 9 1
9 16 17 1
10 1 2 1
11 17 18 1
12 4 5 1
13 18 19 1
14 10 11 1
15 19 20 1
16 6 1 1
17 20 21 1
18 11 12 1
19 13 22 2
20 21 7 2
21 9 6 2
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