ATOM 17
1 C8x C 23.1477 -18.8259
2 C8x C 23.1477 -20.2274
3 C8x C 24.3653 -20.9318
4 C8x C 24.3653 -18.1286
5 C8y C 25.5689 -18.8259
6 C8y C 25.5630 -20.2274
7 C8x C 26.7749 -20.9369
8 C8x C 27.9927 -20.2377
9 C8y C 27.9986 -18.8362
10 C8x C 26.7867 -18.1336
11 O2a O 29.2051 -18.1426
12 C1c C 30.4166 -18.8399
13 C7a C 30.4836 -20.2416
14 C1a C 31.6325 -18.1446
15 O6a O 29.1971 -20.9433
16 O7a O 31.6268 -20.9486
17 C1a C 32.8373 -20.2562
BOND 18
1 5 6 1
2 6 7 1
3 7 8 2
4 8 9 1
5 9 10 2
6 10 5 1
7 9 11 1
8 1 2 2
9 11 12 1
10 2 3 1
11 12 13 1
12 3 6 2
13 12 14 1
14 5 4 2
15 13 15 2
16 4 1 1
17 13 16 1
18 16 17 1
|