ATOM 28
1 N1c N 15.3281 -31.2883
2 C1y C 16.5880 -31.9882
3 C8y C 14.1383 -31.9882
4 C5a C 15.3281 -29.8884
5 C1x C 16.5880 -33.3880
6 C1x C 17.7779 -31.2883
7 C8x C 12.9484 -31.2883
8 C8x C 14.1383 -33.3880
9 C8y C 16.5880 -29.1885
10 O5a O 14.1383 -29.1885
11 C1x C 17.7779 -34.0879
12 C1x C 18.9677 -31.9882
13 C8x C 11.6886 -31.9882
14 C8x C 12.8784 -34.0879
15 N1y N 18.9677 -33.3880
16 C8x C 11.6886 -33.3180
17 C1b C 20.2276 -34.0879
18 C1b C 21.4174 -33.3880
19 C8y C 22.6073 -34.0879
20 C8x C 22.6073 -35.4878
21 C8x C 23.8671 -33.3880
22 C8x C 23.8671 -36.1877
23 C8x C 25.0570 -34.0879
24 C8x C 25.0570 -35.4878
25 O2x O 17.8596 -29.7800
26 C8x C 18.8151 -28.7534
27 C8x C 18.1340 -27.5274
28 C8x C 16.7576 -27.7964
BOND 31
1 1 2 1
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 1
9 4 10 2
10 5 11 1
11 6 12 1
12 7 13 1
13 8 14 2
14 11 15 1
15 13 16 2
16 15 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 19 21 2
21 20 22 2
22 21 23 1
23 22 24 1
24 12 15 1
25 14 16 1
26 23 24 2
27 9 25 1
28 25 26 1
29 26 27 2
30 27 28 1
31 9 28 2
|