ATOM 25
1 C1y C 26.7005 -16.0014
2 C8y C 25.4874 -15.2898
3 N1y N 27.9196 -15.2957
4 C1x C 26.7005 -17.4072
5 C8y C 25.4931 -13.8900
6 C8y C 24.2799 -15.9956
7 C1x C 29.1270 -16.0014
8 C1x C 27.9254 -13.9017
9 C8y C 27.9196 -18.0955
10 C1x C 26.7122 -13.1958
11 C8x C 24.2799 -13.1900
12 C8y C 23.0608 -15.2898
13 O1a O 24.2683 -17.4013
14 C8y C 29.1270 -17.4072
15 C8x C 27.9137 -19.4895
16 C8x C 23.0608 -13.8900
17 O2a O 21.8592 -15.9956
18 C8x C 30.3345 -18.1013
19 C8y C 29.1211 -20.1895
20 C1a C 20.6460 -15.2898
21 C8y C 30.3285 -19.4954
22 O2a O 29.1154 -21.5894
23 O2a O 31.5360 -20.1954
24 C1a C 30.3285 -22.2834
25 C1a C 32.7434 -19.4954
BOND 28
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 2
11 6 12 1
12 6 13 1
13 7 14 1
14 9 15 1
15 11 16 1
16 12 17 1
17 14 18 1
18 15 19 2
19 17 20 1
20 18 21 2
21 19 22 1
22 21 23 1
23 22 24 1
24 23 25 1
25 8 10 1
26 9 14 2
27 12 16 2
28 19 21 1
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