ATOM 23
1 C8y C 23.9675 -33.3084
2 C8y C 23.9616 -34.7112
3 O2x O 25.1842 -32.6098 #+
4 C8x C 22.7625 -32.6041
5 C8x C 25.1725 -35.4098
6 C8y C 22.7625 -35.4040
7 C8y C 26.3892 -33.3200
8 C8y C 21.5459 -33.3084
9 C8y C 26.3833 -34.7171
10 C8x C 21.5459 -34.7112
11 O1a O 22.7625 -36.8069
12 C8y C 27.6058 -32.6214
13 O2a O 20.3292 -32.6041
14 O1a O 27.5942 -35.4214
15 C8x C 28.8108 -33.3316
16 C8x C 27.6058 -31.2243
17 C1a C 19.1185 -33.3084
18 C8y C 30.0275 -32.6331
19 C8x C 28.8225 -30.5317
20 C8y C 30.0332 -31.2360
21 O2a O 31.2382 -33.3433
22 O1a O 31.2498 -30.5433
23 C1a C 32.4548 -32.6447
BOND 25
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 2
8 5 9 2
9 6 10 2
10 6 11 1
11 7 12 1
12 8 13 1
13 9 14 1
14 12 15 2
15 12 16 1
16 13 17 1
17 15 18 1
18 16 19 2
19 18 20 2
20 18 21 1
21 20 22 1
22 21 23 1
23 7 9 1
24 8 10 1
25 19 20 1
|