ATOM 20
1 C8y C 26.4798 -17.3529
2 C5a C 27.6907 -18.0459
3 C8y C 25.2688 -18.0459
4 C8x C 26.4798 -15.9498
5 C2b C 28.8960 -17.3471
6 O5a O 27.6907 -19.4432
7 C8x C 24.0520 -17.3529
8 O2a O 25.2688 -19.4489
9 C8x C 25.2688 -15.2453
10 C8y C 24.0520 -15.9498
11 O1a O 22.8407 -15.2453
12 C1a C 24.0507 -20.1523
13 C2b C 30.1258 -18.0542
14 C8y C 31.3150 -17.3645
15 C8x C 32.5079 -18.0504
16 C8x C 33.7191 -17.3482
17 C8y C 33.7166 -15.9482
18 C8x C 32.5237 -15.2623
19 C8x C 31.3125 -15.9645
20 O1a O 34.9399 -15.2387
BOND 21
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 2
9 7 10 2
10 10 11 1
11 9 10 1
12 8 12 1
13 5 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 14 19 1
21 17 20 1
|