BDTK58
-OEChem-04022103352D
32 34 0 0 0 0 0 0 0999 V2000
6.3092 0.5103 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.2215 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.0934 1.9421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8147 1.4809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6456 -0.1283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8366 1.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2215 2.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2160 2.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6337 3.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6227 3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0404 4.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0349 4.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7745 -0.7347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.0885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5804 1.9974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0171 3.1386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2393 3.4773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6760 4.6186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2871 4.7879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.0315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.0315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 2 0 0 0 0
2 21 1 0 0 0 0
3 7 2 0 0 0 0
4 7 1 0 0 0 0
4 8 1 0 0 0 0
4 9 1 0 0 0 0
5 6 1 0 0 0 0
5 9 1 0 0 0 0
5 22 1 0 0 0 0
6 7 1 0 0 0 0
6 10 2 0 0 0 0
8 12 2 0 0 0 0
8 13 1 0 0 0 0
10 11 1 0 0 0 0
10 23 1 0 0 0 0
11 14 2 0 0 0 0
11 15 1 0 0 0 0
12 16 1 0 0 0 0
12 24 1 0 0 0 0
13 17 2 0 0 0 0
13 25 1 0 0 0 0
14 19 1 0 0 0 0
14 26 1 0 0 0 0
15 20 2 0 0 0 0
15 27 1 0 0 0 0
16 18 2 0 0 0 0
16 28 1 0 0 0 0
17 18 1 0 0 0 0
17 29 1 0 0 0 0
18 30 1 0 0 0 0
19 21 2 0 0 0 0
19 31 1 0 0 0 0
20 21 1 0 0 0 0
20 32 1 0 0 0 0
M END
$$$$