ATOM 13
1 P1b P 24.9320 -17.1702
2 O2b O 26.3410 -17.1702
3 O1c O 23.5405 -17.1702
4 O1c O 24.9378 -15.7729
5 O1c O 24.9261 -18.5675
6 C1b C 26.6275 -18.5442
7 C1y C 27.9546 -18.9768
8 C1y C 28.3816 -20.3215
9 O2x O 29.0715 -18.1641
10 C1x C 29.7788 -20.3215
11 O1a O 27.5453 -21.4441
12 C1y C 30.2233 -18.9768
13 R R 31.5446 -18.5442
BOND 13
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 2
5 2 6 1
6 7 6 1 #Up
7 7 8 1
8 7 9 1
9 8 10 1
10 8 11 1 #Down
11 9 12 1
12 12 13 1 #Up
13 10 12 1
|