ATOM 20
1 C8y C 26.9670 -16.3490
2 C8y C 26.1422 -15.2143
3 C8y C 28.3591 -16.2027
4 N4x N 26.1539 -17.4838
5 C8y C 24.8086 -15.6530
6 C8x C 26.7213 -13.9392
7 C8y C 29.1721 -17.3435
8 N5x N 28.9206 -14.9276
9 C8y C 24.8144 -17.0509
10 C8x C 23.5978 -14.9628
11 C8x C 28.1075 -13.7928
12 O2x O 28.7275 -18.6712
13 C8x C 30.5760 -17.3610
14 C8x C 23.6212 -17.7762
15 C8x C 22.3812 -15.6764
16 C8y C 29.8566 -19.5018
17 C8x C 30.9912 -18.6946
18 C8x C 22.3930 -17.0802
19 C1b C 29.9089 -20.8297
20 O1a O 31.0380 -21.6191
BOND 23
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 1
9 5 10 1
10 6 11 2
11 7 12 1
12 7 13 2
13 9 14 1
14 10 15 2
15 12 16 1
16 13 17 1
17 14 18 2
18 16 19 1
19 19 20 1
20 5 9 2
21 8 11 1
22 15 18 1
23 16 17 2
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