ATOM 22
1 C8y C 24.1680 -16.9284
2 C8y C 24.1738 -15.5289
3 C8y C 25.3809 -17.6399
4 C8y C 22.9667 -17.6340
5 C8x C 22.9667 -14.8291
6 O2x O 25.3926 -14.8350
7 C8y C 26.5997 -16.9401
8 O5x O 25.3751 -18.8295
9 C8x C 21.7538 -16.9284
10 O1a O 22.9667 -19.0278
11 C8y C 21.7538 -15.5289
12 C8x C 26.6054 -15.5348
13 C8y C 27.8125 -17.6516
14 O2a O 20.5350 -14.8291
15 C8y C 27.8009 -19.0511
16 C8x C 29.0256 -16.9460
17 C1a C 19.3336 -15.5289
18 C8x C 29.0139 -19.7509
19 O1a O 26.5880 -19.7392
20 C8x C 30.2327 -17.6573
21 C8y C 30.2268 -19.0628
22 O1a O 31.4339 -19.7626
BOND 24
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 2
11 6 12 1
12 7 13 1
13 11 14 1
14 13 15 1
15 13 16 2
16 14 17 1
17 15 18 2
18 15 19 1
19 16 20 1
20 18 21 1
21 21 22 1
22 7 12 2
23 9 11 1
24 20 21 2
|