ATOM 12
1 C1y C 22.7567 -14.8018
2 C1y C 22.7567 -16.2120
3 O2x O 21.5323 -14.1030
4 O2a O 23.9619 -14.0967
5 C1y C 21.5323 -16.9237
6 O1a O 23.9619 -16.9043
7 C1y C 20.3271 -14.8018
8 R R 25.1670 -14.7953
9 C1y C 20.3271 -16.2120
10 O1a O 21.5258 -18.3146
11 C1a C 19.1156 -14.1030
12 O1a O 19.1156 -16.8980
BOND 12
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 7 11 1 #Up
11 9 12 1 #Up
12 7 9 1
|