ATOM 30
1 C8y C 17.9055 -17.8503
2 C8x C 16.6978 -17.1497
3 C8x C 17.9055 -19.2510
4 C1c C 19.1135 -17.1497
5 C8y C 15.4826 -17.8503
6 C8x C 16.6978 -19.9586
7 C1b C 20.3212 -17.8430
8 O1a O 19.1062 -15.7490
9 C8y C 15.4826 -19.2510
10 C1b C 14.2676 -17.1497
11 N1b N 21.5362 -17.1427
12 O1a O 14.2676 -19.9586
13 O1a O 13.0526 -17.8503
14 C1b C 22.7441 -17.8360
15 C1b C 23.9591 -17.1354
16 C1b C 25.1741 -17.8287
17 C1b C 26.3748 -17.1284
18 C1b C 27.5898 -17.8217
19 C1b C 28.7978 -17.1211
20 O2a O 30.0128 -17.8144
21 C1b C 31.2205 -17.1141
22 C1b C 32.4357 -17.8074
23 C1b C 33.6507 -17.1068
24 C1b C 34.8584 -17.8001
25 C8y C 36.0664 -17.0998
26 C8x C 37.2814 -17.7931
27 C8x C 36.0591 -15.6918
28 C8x C 38.4964 -17.0925
29 C8x C 37.2741 -14.9842
30 C8x C 38.4891 -15.6846
BOND 31
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 2
6 4 7 1
7 4 8 1
8 5 9 2
9 5 10 1
10 7 11 1
11 9 12 1
12 10 13 1
13 11 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 25 26 2
26 25 27 1
27 26 28 1
28 27 29 2
29 28 30 2
30 6 9 1
31 29 30 1
|