ATOM 27
1 C2x C 15.6516 -15.1133
2 C1x C 17.0574 -15.1133
3 C1z C 18.0534 -16.1021
4 C1y C 18.0534 -17.5078
5 C1x C 17.0574 -18.5038
6 C1x C 15.6516 -18.5038
7 C2y C 14.6626 -17.5078
8 C2x C 14.6626 -16.1021
9 C1z C 19.2698 -18.2102
10 C1y C 20.4863 -17.5078
11 C1x C 20.4863 -16.1021
12 C1x C 19.2698 -15.3997
13 C1x C 19.5619 -19.5841
14 C1x C 20.9588 -19.7310
15 C1y C 21.5301 -18.4478
16 C2y C 15.0168 -13.8671
17 C1x C 13.6354 -14.0858
18 C1x C 13.4165 -15.4671
19 C6a C 15.6722 -12.5809
20 C1a C 13.3918 -18.0314
21 C1a C 18.0534 -14.6974
22 C2c C 22.8700 -18.1634
23 C2a C 23.8370 -19.2383
24 C1a C 23.3005 -16.8410
25 C1a C 18.6956 -19.5670
26 O6a O 17.0769 -12.5072
27 O6a O 14.9207 -11.4238
BOND 29
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 2
8 4 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 3 12 1
13 9 13 1
14 13 14 1
15 14 15 1
16 10 15 1
17 1 16 2
18 16 17 1
19 17 18 1
20 8 18 1
21 16 19 1
22 7 20 1
23 3 21 1 #Down
24 15 22 1 #Up
25 22 23 2
26 22 24 1
27 9 25 1 #Down
28 19 26 1
29 19 27 2
|