ATOM 18
1 C5x C 22.0187 -15.4873
2 C2x C 22.0187 -16.8822
3 C2x C 23.2297 -17.5797
4 C1x C 23.2297 -14.7898
5 C1y C 24.4336 -15.4873
6 N1y N 24.4277 -16.8822
7 C1x C 25.6327 -17.5848
8 C1y C 26.8437 -16.8925
9 C1x C 26.8498 -15.4976
10 C1y C 25.6447 -14.7949
11 C1x C 26.8447 -14.0852
12 O5x O 20.8070 -14.7898
13 N1y N 28.0566 -14.7686
14 C1y C 28.0424 -16.1847
15 C1x C 29.2618 -16.9049
16 C1x C 30.4952 -16.2091
17 C1x C 30.5094 -14.7930
18 C1x C 29.2899 -14.0727
BOND 21
1 10 9 1 #Up
2 10 5 1
3 10 11 1
4 8 14 1
5 11 13 1
6 1 2 1
7 2 3 2
8 1 12 2
9 3 6 1
10 5 4 1
11 4 1 1
12 5 6 1
13 6 7 1
14 7 8 1
15 13 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 13 1
21 8 9 1 #Up
|