ATOM 13
1 C1y C 15.3083 -13.1858
2 O2x O 16.5137 -12.4935
3 C1y C 15.3083 -14.5963
4 C1b C 14.0965 -12.4935
5 C1y C 17.7382 -13.1858
6 C1y C 16.5137 -15.3078
7 O1a O 14.0965 -15.2886
8 O1a O 12.8914 -13.1858
9 C1y C 17.7382 -14.5963
10 O2a O 18.9435 -12.4870
11 O1a O 16.5137 -16.7055
12 O1a O 18.9498 -15.2951
13 R R 20.1551 -13.1793
BOND 13
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 1 #Up
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1 #Up
11 9 12 1 #Down
12 10 13 1
13 6 9 1
|