ATOM 15
1 C1c C 26.4029 -17.6174
2 C1b C 27.6074 -18.3190
3 S2a S 26.4029 -16.2085
4 C1b C 25.1927 -18.3190
5 C1b C 28.8233 -17.6174
6 C5a C 27.6074 -15.5127
7 C1b C 23.9768 -17.6174
8 C1b C 30.0395 -18.3190
9 C1a C 28.8233 -16.2085
10 O5a O 27.6074 -14.1155
11 C1b C 31.2497 -17.6174
12 C5a C 32.4599 -18.3190
13 N1a N 33.6641 -17.6174
14 O5a O 32.4599 -19.7162
15 S1a S 22.7803 -18.3092
BOND 14
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 5 8 1
8 6 9 1
9 6 10 2
10 8 11 1
11 11 12 1
12 12 13 1
13 12 14 2
14 7 15 1
|