ATOM 22
1 C1x C 23.7984 -23.7978
2 C1x C 23.7984 -25.1976
3 C1z C 25.0107 -25.8976
4 C1y C 26.2230 -25.1976
5 C1z C 26.2230 -23.7978
6 C1x C 25.0107 -23.0979
7 C1x C 27.4353 -25.8976
8 C1x C 28.6476 -25.1976
9 C2y C 28.6476 -23.7978
10 C1y C 27.4353 -23.0979
11 C2x C 29.8600 -23.0979
12 C1y C 29.8600 -21.6980
13 C1x C 28.6476 -20.9981
14 C1x C 27.4353 -21.6980
15 C1a C 25.5706 -27.3198
16 C6a C 24.4507 -27.3198
17 O6a O 23.0287 -27.3202
18 O6a O 24.4507 -28.7197
19 C1a C 26.2230 -22.3979
20 C1c C 31.0929 -20.9859
21 C1a C 32.2990 -21.6820
22 C1a C 31.0926 -19.5983
BOND 24
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 2
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 3 15 1
18 3 16 1 #Down
19 16 17 1
20 16 18 2
21 5 19 1 #Up
22 12 20 1 #Up
23 20 21 1
24 20 22 1
|