ATOM 24
1 C8y C 26.0542 -16.2911
2 C8y C 27.2707 -15.5952
3 C8y C 26.0600 -17.6948
4 C8y C 24.8376 -15.5952
5 C1y C 28.4814 -16.2970
6 C8y C 27.2766 -14.1857
7 C8y C 27.2649 -18.3849
8 C8x C 24.8553 -18.3849
9 C8y C 24.8436 -14.1915
10 O2x O 23.5042 -16.0221
11 C1x C 28.4756 -17.6948
12 N1y N 29.7737 -15.6010
13 C8x C 26.0600 -13.4839
14 C1x C 28.4990 -13.4897
15 C8x C 27.2649 -19.7769
16 C8y C 24.8493 -19.7711
17 O2x O 23.5159 -13.7529
18 C1x C 22.6912 -14.8876
19 C1x C 29.7154 -14.1974
20 C1a C 30.9144 -16.3087
21 C8y C 26.0542 -20.4730
22 O2a O 23.6212 -20.4613
23 O1a O 26.0483 -21.8765
24 C1a C 22.4176 -19.7476
BOND 28
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 2
13 6 14 1
14 7 15 1
15 8 16 2
16 9 17 1
17 10 18 1
18 12 19 1
19 12 20 1
20 15 21 2
21 16 22 1
22 21 23 1
23 7 11 1
24 9 13 1
25 14 19 1
26 16 21 1
27 17 18 1
28 22 24 1
|