ATOM 17
1 C8y C 23.0700 -17.1454
2 C8y C 23.0700 -18.5453
3 O2x O 24.3349 -16.4484
4 C8x C 21.8540 -16.4484
5 C1y C 24.2989 -19.2541
6 C8x C 21.8540 -19.2598
7 C1y C 25.5218 -17.1266
8 C8x C 20.6483 -17.1454
9 C1x C 25.5335 -18.5510
10 O1a O 24.2706 -20.6655
11 C8x C 20.6483 -18.5453
12 C8y C 26.7275 -16.4297
13 C8x C 26.7216 -15.0414
14 C8x C 27.9319 -17.1150
15 C8x C 27.9144 -14.3385
16 C8x C 29.1143 -16.4181
17 C8x C 29.1260 -15.0297
BOND 19
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 4 8 2
8 5 9 1
9 5 10 1
10 6 11 2
11 7 12 1 #Down
12 12 13 1
13 12 14 2
14 13 15 2
15 14 16 1
16 15 17 1
17 7 9 1
18 8 11 1
19 16 17 2
|