ATOM 16
1 C1y C 16.6850 -16.5448
2 C1y C 16.6850 -17.9469
3 C1y C 17.8768 -18.6479
4 C5x C 19.1386 -17.9469
5 C1x C 19.1386 -16.5448
6 C1y C 17.8768 -15.8437
7 C1b C 17.8768 -14.4416
8 O2b O 19.0685 -13.7406
9 O1a O 15.4932 -18.6479
10 O1a O 17.8768 -20.0500
11 O1a O 15.4932 -15.8437
12 O5x O 20.3304 -18.6479
13 P1b P 20.4706 -13.7406
14 O1c O 21.8727 -13.7406
15 O1c O 20.4706 -12.3385
16 O1c O 20.4706 -15.1427
BOND 16
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 6 7 1 #Up
8 7 8 1
9 2 9 1 #Up
10 3 10 1 #Down
11 1 11 1 #Down
12 4 12 2
13 8 13 1
14 13 14 1
15 13 15 1
16 13 16 2
|