ATOM 25
1 C8y C 29.2486 -14.1956
2 C8y C 28.0213 -14.8911
3 C8y C 30.2889 -15.1424
4 C8y C 29.2544 -12.7989
5 C8y C 26.8233 -14.1898
6 O2x O 28.3077 -16.2703
7 C8y C 29.6986 -16.4221
8 C8x C 31.6855 -15.0138
9 O7x O 28.0447 -12.0977
10 O6a O 30.4641 -12.1036
11 C8y C 26.8292 -12.7872
12 C8x C 25.6253 -14.8852
13 C8y C 30.5226 -17.5676
14 C8x C 32.4978 -16.1593
15 C8x C 25.6253 -12.0919
16 C8x C 24.4098 -14.1898
17 C8y C 31.9134 -17.4390
18 C1x C 29.9382 -18.8358
19 C8y C 24.4098 -12.7872
20 O2x O 32.7198 -18.5785
21 C1x C 30.7446 -19.9811
22 O1a O 23.2001 -12.0919
23 C1z C 32.1355 -19.8526
24 C1a C 33.4679 -20.4253
25 C1a C 32.1238 -21.2025
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 1
9 4 10 2
10 5 11 2
11 5 12 1
12 7 13 1
13 8 14 2
14 11 15 1
15 12 16 2
16 13 17 2
17 13 18 1
18 15 19 2
19 17 20 1
20 18 21 1
21 19 22 1
22 20 23 1
23 23 24 1
24 23 25 1
25 6 7 1
26 9 11 1
27 14 17 1
28 16 19 1
29 21 23 1
|