ATOM 20
1 C1z C 14.9659 -14.5482
2 C1y C 16.2188 -15.2443
3 C1x C 15.6619 -13.3650
4 O2x O 14.2698 -13.3650
5 C1x C 13.7826 -15.2443
6 C1z C 17.4717 -14.5482
7 C1y C 16.2188 -16.7756
8 C1x C 13.7826 -16.7756
9 C1y C 18.6549 -15.2443
10 O2x O 18.6549 -13.8522
11 C1a C 17.4717 -13.1561
12 C5x C 14.9659 -17.4717
13 O2a O 17.4717 -17.4717
14 C1b C 19.9078 -14.5482
15 O5x O 14.9659 -18.8638
16 C1a C 18.6549 -16.7060
17 C2b C 21.0911 -15.2443
18 C2c C 22.2744 -14.5482
19 C1a C 23.5273 -15.2443
20 C1a C 22.2744 -13.1561
BOND 22
1 1 2 1
2 1 3 1 #Down
3 1 4 1 #Up
4 1 5 1
5 2 6 1
6 2 7 1
7 5 8 1
8 6 9 1
9 6 10 1 #Up
10 6 11 1 #Down
11 7 12 1
12 7 13 1 #Down
13 9 14 1 #Down
14 12 15 2
15 13 16 1
16 14 17 1
17 17 18 2
18 18 19 1
19 18 20 1
20 3 4 1
21 8 12 1
22 9 10 1 #Up
|