ATOM 21
1 C8x C 16.6752 -14.9937
2 C8y C 16.6752 -16.3949
3 C8x C 17.9363 -17.0956
4 C8y C 19.1274 -16.3949
5 C8y C 19.1274 -14.9937
6 C8x C 17.9363 -14.2930
7 N5x N 20.3886 -16.8153
8 C8y C 21.2293 -15.6943
9 N4x N 20.3886 -14.5032
10 S2a S 15.4841 -17.0956
11 C8y C 14.2930 -16.3949
12 N1b N 22.6306 -15.6943
13 C7a C 23.3312 -16.8854
14 O7a O 24.8026 -16.8854
15 C1a C 25.5032 -18.0765
16 O6a O 22.6306 -18.0765
17 C8x C 14.3047 -14.9802
18 C8x C 13.0980 -14.2703
19 C8x C 11.8799 -14.9603
20 C8x C 11.8682 -16.3750
21 C8x C 13.0749 -17.0849
BOND 23
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 2 10 1
12 10 11 1
13 8 12 1
14 12 13 1
15 13 14 1
16 14 15 1
17 13 16 2
18 11 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 11 21 1
|