ATOM 21
1 C1y C 18.5730 -16.1900
2 C1y C 19.7644 -16.8909
3 C1z C 17.3815 -16.8909
4 C1x C 18.5730 -14.7883
5 C1y C 20.9559 -16.1900
6 C1x C 19.6944 -18.2225
7 C1y C 17.3815 -18.2225
8 C5x C 16.2601 -16.1900
9 C1a C 17.3815 -15.4191
10 C1x C 19.7644 -14.1575
11 C1z C 20.9559 -14.7883
12 C1x C 18.5730 -18.9234
13 C1x C 16.2601 -18.9234
14 C1x C 15.0686 -16.8909
15 C1a C 20.9559 -13.4566
16 C5x C 15.0686 -18.2225
17 O5x O 13.9473 -18.8533
18 C1x C 23.3389 -16.1199
19 C1x C 23.2688 -14.7883
20 C1x C 22.1474 -14.1575
21 O5x O 16.2601 -14.7900
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 1
11 6 12 1
12 7 13 1
13 8 14 1
14 11 15 1
15 13 16 1
16 16 17 2
17 7 12 1
18 10 11 1
19 14 16 1
20 5 18 1
21 18 19 1
22 19 20 1
23 11 20 1
24 8 21 2
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