ATOM 21
1 C8y C -1.1586 -0.1966
2 C8y C -1.1552 0.6345
3 C5x C -0.4483 -0.6172
4 C8y C -1.8724 -0.6138
5 C5x C -0.4414 1.0414
6 C8y C -1.8724 1.0448
7 C2y C 0.2724 -0.2034
8 O5x O -0.4517 -1.4448
9 C8x C -2.5931 -0.1966
10 O1a O -1.8690 -1.4414
11 C2x C 0.2759 0.6276
12 O5x O -0.4379 1.8724
13 C8x C -2.5931 0.6345
14 O1a O -1.8724 1.8759
15 C1c C 0.9862 -0.6138
16 C1b C 1.7035 -0.1966
17 O1a O 0.9828 -1.4414
18 C2b C 2.4207 -0.6069
19 C2c C 3.1379 -0.1931
20 C1a C 3.8517 -0.6034
21 C1a C 3.1345 0.6379
BOND 22
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 2
12 6 13 2
13 6 14 1
14 7 15 1
15 15 16 1
16 15 17 1 #Down
17 16 18 1
18 18 19 2
19 19 20 1
20 19 21 1
21 7 11 2
22 9 13 1
|