ATOM 15
1 C1b C 12.3200 -17.3600
2 C1c C 13.5324 -16.6600
3 S2a S 14.7449 -17.3600
4 P1a P 15.9573 -16.6600
5 C1a C 13.5324 -15.2602
6 C1a C 11.1076 -16.6600
7 S2a S 17.1697 -15.9600
8 O2b O 16.8078 -18.0779
9 O3b O 15.1782 -15.3145
10 C1c C 18.3673 -16.6515
11 C1b C 19.5556 -15.9655
12 C1a C 18.3674 -18.0597
13 C1a C 20.7464 -16.6531
14 C1b C 16.0514 -19.2430
15 C1a C 14.6324 -19.2387
BOND 14
1 1 2 1
2 2 3 1
3 3 4 1
4 2 5 1
5 1 6 1
6 4 7 1
7 4 8 1
8 4 9 2
9 7 10 1
10 10 11 1
11 10 12 1
12 11 13 1
13 8 14 1
14 14 15 1
|