ATOM 16
1 C1y C 27.1893 -19.7084
2 C2y C 28.4437 -19.1074
3 C1x C 29.7036 -19.7076
4 C1x C 30.0158 -21.0571
5 C1y C 26.8825 -21.0784
6 C2y C 29.1555 -22.1584
7 C2x C 27.7592 -22.1639
8 C2a C 28.4422 -17.7156
9 C1x C 26.1206 -18.9932
10 C1x C 24.9276 -19.7818
11 C1z C 25.4847 -21.1403
12 O1a O 24.7716 -22.4149
13 C1a C 24.0698 -21.0507
14 C1c C 29.7787 -23.4294
15 C1a C 31.1789 -23.4546
16 C1a C 29.0299 -24.6066
BOND 17
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 2
8 2 8 2
9 1 9 1
10 9 10 1
11 10 11 1
12 5 11 1
13 11 12 1 #Down
14 11 13 1 #Up
15 6 14 1
16 14 15 1
17 14 16 1
|