BJ52OH
-OEChem-04012116012D
23 24 0 0 0 0 0 0 0999 V2000
6.0486 0.7688 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.4964 2.8392 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -0.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7122 1.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2177 2.3780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2395 2.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7177 1.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.9856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -0.5144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.1344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4699 2.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.6344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 16 1 0 0 0 0
2 12 2 0 0 0 0
3 10 1 0 0 0 0
3 22 1 0 0 0 0
4 13 1 0 0 0 0
4 23 1 0 0 0 0
5 16 2 0 0 0 0
6 12 1 0 0 0 0
6 16 1 0 0 0 0
6 21 1 0 0 0 0
7 8 1 0 0 0 0
7 10 2 0 0 0 0
7 11 1 0 0 0 0
8 9 2 0 0 0 0
8 17 1 0 0 0 0
9 12 1 0 0 0 0
10 14 1 0 0 0 0
11 13 2 0 0 0 0
11 18 1 0 0 0 0
13 15 1 0 0 0 0
14 15 2 0 0 0 0
14 19 1 0 0 0 0
15 20 1 0 0 0 0
M END
$$$$