ATOM 21
1 C8y C 27.8622 -18.8284
2 C8y C 29.0791 -18.1297
3 C8y C 27.8681 -20.2316
4 C8y C 26.6511 -18.1238
5 C8y C 30.2844 -18.8342
6 C8y C 29.0150 -16.7263
7 C8y C 29.0734 -20.9304
8 C8x C 26.6628 -20.9246
9 C8y C 26.6395 -16.7263
10 O2x O 25.3236 -18.5664
11 C5x C 30.2787 -20.2316
12 N5x N 31.5130 -18.1414
13 C8x C 27.8681 -16.0219
14 C8x C 30.3020 -16.0278
15 C8x C 29.0734 -22.3219
16 C8x C 26.6569 -22.3162
17 O2x O 25.3060 -16.3013
18 C1x C 24.4909 -17.4426
19 O5x O 31.4897 -20.9304
20 C8x C 31.5189 -16.7322
21 C8x C 27.8622 -23.0149
BOND 25
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 2
12 6 13 2
13 6 14 1
14 7 15 1
15 8 16 2
16 9 17 1
17 10 18 1
18 11 19 2
19 12 20 1
20 15 21 2
21 7 11 1
22 9 13 1
23 14 20 2
24 16 21 1
25 17 18 1
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