BXW09S
-OEChem-04022114383D
28 29 0 0 0 0 0 0 0999 V2000
4.1897 0.4284 -0.2812 P 0 0 0 0 0 0 0 0 0 0 0 0
4.3383 -0.4526 -1.6196 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7069 0.6664 0.2001 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3328 1.6400 -0.3815 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2438 -0.1916 0.5822 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8509 0.8179 0.3713 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7918 -1.3925 0.0894 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1665 -1.6869 -0.3400 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.4458 0.3893 -0.2756 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4150 2.5072 0.1731 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1976 -1.3009 0.5923 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5887 -0.7858 0.9175 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0815 -0.3153 0.3483 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1381 0.4428 0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0755 -0.9336 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3394 1.1152 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2933 -0.9478 -0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1984 -1.7852 -0.3902 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8945 -2.0417 1.3404 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2916 -1.6253 0.9482 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5960 -0.3147 1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6312 0.7278 0.7827 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5224 1.7576 0.5491 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6322 -0.0180 -2.4483 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2643 1.3161 -0.2787 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2006 -1.4994 -0.6497 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5858 3.0468 0.3805 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3119 2.9655 0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 4 2 0 0 0 0
1 12 1 0 0 0 0
2 24 1 0 0 0 0
3 25 1 0 0 0 0
5 11 1 0 0 0 0
5 13 1 0 0 0 0
5 22 1 0 0 0 0
6 13 1 0 0 0 0
6 14 1 0 0 0 0
6 23 1 0 0 0 0
7 13 2 0 0 0 0
7 15 1 0 0 0 0
8 15 2 0 0 0 0
8 17 1 0 0 0 0
9 16 1 0 0 0 0
9 17 2 0 0 0 0
10 16 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
11 12 1 0 0 0 0
11 18 1 0 0 0 0
11 19 1 0 0 0 0
12 20 1 0 0 0 0
12 21 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
17 26 1 0 0 0 0
M END
$$$$