ATOM 20
1 C8y C 27.0264 -29.4061
2 C8y C 27.0323 -28.0016
3 C8y C 28.2387 -30.1055
4 C8y C 25.8201 -30.1055
5 O2x O 28.2504 -27.3080
6 C8x C 25.8201 -27.3023
7 C8x C 29.4509 -29.4178
8 O5x O 28.2328 -31.5100
9 C8x C 24.6020 -29.4061
10 O1a O 25.8259 -31.5043
11 C8y C 29.4568 -28.0133
12 C8y C 24.6020 -28.0016
13 C8y C 30.6749 -27.3139
14 O2a O 23.3956 -27.3023
15 C8x C 31.8870 -28.0307
16 C8x C 30.6806 -25.9152
17 C8x C 33.0935 -27.3313
18 C8x C 31.8987 -25.2274
19 C8x C 33.0994 -25.9268
20 C1a C 22.1868 -27.9972
BOND 22
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 4 10 1
10 5 11 1
11 6 12 2
12 11 13 1
13 12 14 1
14 13 15 2
15 13 16 1
16 15 17 1
17 16 18 2
18 17 19 2
19 7 11 2
20 9 12 1
21 18 19 1
22 14 20 1
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