ATOM 25
1 C8y C 31.6029 -19.6889
2 C8y C 31.5912 -21.0869
3 C8y C 32.8205 -19.0071
4 C5x C 30.3970 -18.9897
5 C5x C 30.3853 -21.7919
6 C8x C 32.7972 -21.8036
7 C8y C 34.0265 -19.7122
8 O2a O 32.8322 -17.6089
9 C8y C 29.1853 -19.6830
10 O5x O 30.4029 -17.5856
11 C8y C 29.1795 -21.0812
12 O5x O 30.3853 -23.1902
13 C8y C 34.0148 -21.1103
14 O1a O 35.2441 -19.0247
15 C1a C 34.0557 -16.9157
16 C8y C 27.9735 -18.9839
17 C8x C 27.9735 -21.7860
18 C1a C 35.2208 -21.8269
19 C8y C 26.7560 -19.6830
20 O1a O 27.9735 -17.5856
21 C8y C 26.7560 -21.0812
22 O2a O 25.5227 -18.9691
23 O2a O 25.5352 -21.7853
24 C1a C 24.3286 -19.6568
25 C1a C 24.3236 -21.0850
BOND 27
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 1
9 4 10 2
10 5 11 1
11 5 12 2
12 6 13 2
13 7 14 1
14 8 15 1
15 9 16 1
16 11 17 1
17 13 18 1
18 16 19 2
19 16 20 1
20 17 21 2
21 7 13 1
22 9 11 2
23 19 21 1
24 19 22 1
25 21 23 1
26 22 24 1
27 23 25 1
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