ATOM 19
1 C8y C 26.1882 -20.2573
2 C8y C 24.9767 -20.9562
3 C8x C 26.1882 -18.8594
4 C1b C 27.3995 -20.9562
5 C8x C 23.7596 -20.2573
6 O2a O 24.9767 -22.3540
7 C8x C 24.9767 -18.1548
8 C2b C 28.6051 -20.2573
9 C8y C 23.7596 -18.8594
10 C1a C 23.7653 -23.0586
11 C2b C 28.6051 -18.8537
12 O1a O 22.5480 -18.1548
13 C8y C 29.8166 -18.1489
14 C8x C 31.0280 -18.8594
15 C8x C 29.8107 -16.7570
16 C8x C 32.2393 -18.1548
17 C8x C 31.0223 -16.0581
18 C8y C 32.2393 -16.7511
19 O1a O 33.4509 -16.0581
BOND 20
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 4 8 1
8 5 9 2
9 6 10 1
10 8 11 2
11 9 12 1
12 11 13 1
13 13 14 2
14 13 15 1
15 14 16 1
16 15 17 2
17 16 18 2
18 18 19 1
19 7 9 1
20 17 18 1
|