B9U2KO
-OEChem-04022114283D
27 29 0 0 0 0 0 0 0999 V2000
5.9927 -0.5500 1.3671 I 0 0 0 0 0 0 0 0 0 0 0 0
-4.1517 -0.1104 0.8228 S 0 0 0 0 0 0 0 0 0 0 0 0
0.3729 -0.1006 -1.3304 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3093 2.6895 0.3113 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2588 -2.6852 0.0971 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8078 -0.0042 -0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7374 0.7868 0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5957 0.5913 -0.6604 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2938 -1.3436 -0.4348 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5444 -1.5322 0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4761 2.1295 0.6989 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4126 1.9280 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6161 -0.1996 -0.7334 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7160 -0.5131 0.6221 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7706 0.0135 -1.4868 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9701 -0.6132 1.2244 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0247 -0.0866 -0.8847 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1245 -0.3999 0.4709 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7386 -2.1282 -0.9356 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1731 2.7709 1.2243 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4940 2.4540 -0.6301 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8344 -0.7017 1.2285 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6983 0.2581 -2.5430 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0256 -0.8623 2.2811 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9114 0.0834 -1.4902 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9084 -3.5383 -0.3272 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1800 -2.7425 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0 0 0 0
2 7 1 0 0 0 0
2 10 1 0 0 0 0
3 8 1 0 0 0 0
3 13 1 0 0 0 0
4 11 2 0 0 0 0
4 12 1 0 0 0 0
5 10 1 0 0 0 0
5 26 1 0 0 0 0
5 27 1 0 0 0 0
6 7 2 0 0 0 0
6 8 1 0 0 0 0
6 9 1 0 0 0 0
7 11 1 0 0 0 0
8 12 2 0 0 0 0
9 10 2 0 0 0 0
9 19 1 0 0 0 0
11 20 1 0 0 0 0
12 21 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
14 16 1 0 0 0 0
14 22 1 0 0 0 0
15 17 2 0 0 0 0
15 23 1 0 0 0 0
16 18 2 0 0 0 0
16 24 1 0 0 0 0
17 18 1 0 0 0 0
17 25 1 0 0 0 0
M END
$$$$