ATOM 28
1 C8y C 24.8966 -15.6451
2 C8y C 24.8851 -17.0449
3 C8y C 26.1156 -14.9569
4 C8y C 23.6836 -14.9395
5 C8y C 26.0865 -17.7565
6 O2x O 23.6719 -17.7448
7 C8y C 27.3229 -15.6625
8 O1a O 26.1273 -13.5571
9 C8y C 22.4646 -15.6335
10 O5x O 23.6895 -13.5397
11 C8y C 27.2995 -17.0623
12 O1a O 26.0806 -19.1562
13 C8y C 22.4588 -17.0332
14 C5x C 28.5419 -14.9860
15 C8y C 21.2515 -14.9336
16 C5x C 28.5011 -17.7856
17 C8x C 21.2515 -17.7389
18 C2x C 29.7375 -15.6976
19 O5x O 28.5652 -13.5864
20 C8x C 20.0442 -15.6335
21 C1a C 21.2573 -13.5338
22 C2y C 29.7201 -17.0973
23 O5x O 28.4835 -19.1853
24 C8y C 20.0442 -17.0332
25 O2a O 30.9214 -17.8206
26 O2a O 18.8253 -17.7389
27 C1a C 32.1463 -17.1323
28 C1a C 17.6122 -17.0390
BOND 31
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 9 15 1
15 11 16 1
16 13 17 1
17 14 18 1
18 14 19 2
19 15 20 2
20 15 21 1
21 16 22 1
22 16 23 2
23 17 24 2
24 22 25 1
25 24 26 1
26 25 27 1
27 26 28 1
28 7 11 2
29 9 13 2
30 18 22 2
31 20 24 1
|