ATOM 25
1 C8y C 25.9583 -18.5786
2 C8y C 25.9700 -17.1793
3 C5x C 24.7457 -19.2842
4 C8x C 27.1595 -19.2899
5 C5x C 24.7631 -16.4798
6 C8y C 27.1828 -16.4972
7 C8y C 23.5388 -18.5728
8 O5x O 24.7457 -20.6835
9 C8y C 28.4481 -18.6019
10 C8y C 23.5447 -17.1676
11 O5x O 24.7690 -15.0745
12 C8y C 28.3897 -17.2026
13 O1a O 27.1945 -15.0921
14 C8x C 22.3319 -19.2782
15 O1a O 29.5850 -19.3132
16 C8y C 22.3319 -16.4738
17 C1b C 29.6024 -16.5146
18 C8y C 21.1133 -18.5728
19 C8x C 21.1133 -17.1676
20 O1a O 22.3319 -15.0688
21 C2b C 30.8093 -17.2202
22 C1a C 19.9006 -19.2782
23 C2c C 32.0279 -16.5379
24 C1a C 33.2289 -17.2376
25 C1a C 32.0396 -15.1328
BOND 27
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 5 10 1
10 5 11 2
11 6 12 2
12 6 13 1
13 7 14 1
14 9 15 1
15 10 16 1
16 12 17 1
17 14 18 2
18 16 19 2
19 16 20 1
20 17 21 1
21 18 22 1
22 21 23 2
23 23 24 1
24 23 25 1
25 7 10 2
26 9 12 1
27 18 19 1
|