ATOM 19
1 C8y C 24.5052 -16.2405
2 C8y C 24.4936 -17.6394
3 C5x C 23.2929 -15.5351
4 C8y C 25.7235 -15.5527
5 C5x C 23.2812 -18.3389
6 C8y C 25.7001 -18.3506
7 C8y C 22.0747 -16.2288
8 O5x O 23.2986 -14.1364
9 C8y C 26.9300 -16.2638
10 O1a O 25.6651 -14.1538
11 C8y C 22.0689 -17.6335
12 O5x O 23.2812 -19.7436
13 C8x C 26.9184 -17.6569
14 O1a O 25.6885 -19.7553
15 C8x C 20.8740 -15.5294
16 O1a O 28.1483 -15.5760
17 C8x C 20.8740 -18.3330
18 C8x C 19.6558 -16.2288
19 C8x C 19.6558 -17.6335
BOND 21
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 2
12 6 13 2
13 6 14 1
14 7 15 1
15 9 16 1
16 11 17 1
17 15 18 2
18 17 19 2
19 7 11 2
20 9 13 1
21 18 19 1
|