ATOM 25
1 C8y C 26.6819 -17.4045
2 C8y C 27.8984 -16.7026
3 C8y C 26.6876 -18.8083
4 C8y C 25.4652 -16.7026
5 C8y C 27.9043 -15.2989
6 C1y C 29.0974 -17.4103
7 C8y C 27.8926 -19.4985
8 C8x C 25.4828 -19.4926
9 C8y C 25.4711 -15.3046
10 O2x O 24.1316 -17.1296
11 C8y C 26.6876 -14.5970
12 C1x C 29.1151 -14.6027
13 C1x C 29.0974 -18.8083
14 N1x N 30.3258 -16.7143
15 C8x C 27.8926 -20.8904
16 C8y C 25.4769 -20.8846
17 O2x O 24.1433 -14.8660
18 C1x C 23.3069 -15.9948
19 O2a O 26.6819 -13.1991
20 C1x C 30.3316 -15.3106
21 C8y C 26.6819 -21.5865
22 O2a O 24.2486 -21.5748
23 C1a C 27.8984 -12.4913
24 O1a O 26.6759 -22.9903
25 C1a C 23.0449 -20.8610
BOND 29
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 2
11 5 12 1
12 6 13 1
13 6 14 1
14 7 15 1
15 8 16 2
16 9 17 1
17 10 18 1
18 11 19 1
19 12 20 1
20 15 21 2
21 16 22 1
22 19 23 1
23 21 24 1
24 7 13 1
25 9 11 1
26 14 20 1
27 16 21 1
28 17 18 1
29 22 25 1
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