BOD02S
-OEChem-04042104113D
28 30 0 0 0 0 0 0 0999 V2000
-2.7622 -3.0686 -1.0386 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.4980 -1.2412 0.6774 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5649 -0.6454 -0.9804 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4237 -0.7039 -0.1965 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3750 0.1239 0.8600 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2523 -1.7336 0.6493 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3014 -0.3421 -1.0354 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1437 2.4286 0.5476 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1012 1.6431 0.2975 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3142 2.0322 -0.3599 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4951 -0.2711 0.7531 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3181 0.4536 1.0043 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4042 0.2095 -0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0311 2.1029 -0.6369 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2073 1.3927 -0.8979 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6546 0.5876 -0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0779 -1.4667 1.2252 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8267 -1.5014 -0.4964 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9387 3.4991 0.4183 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4382 2.3161 1.5997 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1952 2.6346 -0.1128 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0645 2.2162 -1.4112 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3984 0.0949 1.7372 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8492 3.0272 -1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9294 1.7491 -1.6241 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6937 -2.1542 1.9655 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7783 0.5985 1.6558 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6032 -1.5674 -1.2862 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 2 0 0 0 0
2 5 1 0 0 0 0
2 18 1 0 0 0 0
3 4 1 0 0 0 0
3 28 1 0 0 0 0
4 6 1 0 0 0 0
4 13 1 0 0 0 0
5 16 1 0 0 0 0
5 27 1 0 0 0 0
6 17 2 0 0 0 0
7 16 2 0 0 0 0
7 18 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 19 1 0 0 0 0
8 20 1 0 0 0 0
9 12 2 0 0 0 0
9 14 1 0 0 0 0
10 16 1 0 0 0 0
10 21 1 0 0 0 0
10 22 1 0 0 0 0
11 12 1 0 0 0 0
11 13 2 0 0 0 0
11 17 1 0 0 0 0
12 23 1 0 0 0 0
13 15 1 0 0 0 0
14 15 2 0 0 0 0
14 24 1 0 0 0 0
15 25 1 0 0 0 0
17 26 1 0 0 0 0
M END
$$$$