ATOM 26
1 C8y C 28.7632 -18.8725
2 C8y C 27.5520 -18.1505
3 C8y C 30.0618 -18.1795
4 N5y N 28.7573 -20.2757 #+
5 C8y C 26.3350 -18.8433
6 C8x C 27.5695 -16.7473
7 C8y C 30.0034 -16.7822
8 C8x C 31.1795 -18.8958
9 C8x C 27.5287 -20.9570
10 C1a C 29.9742 -20.9687
11 C8y C 26.3117 -20.2466
12 C8x C 25.1240 -18.1331
13 C8x C 28.7922 -16.0719
14 C8x C 31.2144 -16.1009
15 C8y C 25.1065 -20.9511
16 C8x C 23.9013 -18.8375
17 C8y C 23.8897 -20.2407
18 O2a O 25.1650 -22.3485
19 O2a O 22.6668 -20.9161
20 C1a C 21.4675 -20.2058
21 C1a C 23.8829 -23.0351
22 C8y C 32.4081 -16.8054
23 C8y C 32.3974 -18.2030
24 O2x O 33.7235 -18.6449
25 C1x C 34.5532 -17.5205
26 O2x O 33.7405 -16.3836
BOND 30
1 3 7 1
2 3 8 2
3 4 9 2
4 4 10 1
5 5 11 2
6 5 12 1
7 6 13 2
8 7 14 2
9 8 23 1
10 11 15 1
11 12 16 2
12 14 22 1
13 15 17 2
14 15 18 1
15 17 19 1
16 19 20 1
17 7 13 1
18 9 11 1
19 16 17 1
20 18 21 1
21 1 2 2
22 1 3 1
23 1 4 1
24 2 5 1
25 2 6 1
26 22 23 2
27 23 24 1
28 24 25 1
29 25 26 1
30 26 22 1
|