ATOM 14
1 C1y C 18.0490 -15.8481
2 O2x O 19.2304 -15.0938
3 C1y C 18.0374 -17.2456
4 C1c C 16.7333 -15.1931
5 C1y C 20.4118 -15.8127
6 C1y C 19.2714 -17.9006
7 O1a O 16.8503 -17.9943
8 C1y C 20.4584 -17.1463
9 O1a O 21.6045 -14.9884
10 O1a O 19.3299 -19.2984
11 O1a O 21.7040 -17.8013
12 O1a O 15.5515 -15.9183
13 C1b C 16.7333 -13.7911
14 O1a O 15.5536 -13.1104
BOND 14
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 #Down
7 5 8 1
8 5 9 1 #Either
9 6 10 1 #Up
10 8 11 1 #Up
11 6 8 1
12 4 12 1 #Up
13 4 13 1
14 13 14 1
|