BC2LJ5
-OEChem-04022109112D
34 35 0 1 0 0 0 0 0999 V2000
5.4641 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6750 -2.5878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3092 1.9698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -3.5388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4071 2.5878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0981 3.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 3.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7891 2.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3582 2.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0570 -2.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -3.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 -2.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5041 1.9754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7045 3.6678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0333 4.1554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1629 4.1554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4916 3.6678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2227 2.8400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4791 2.0508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4674 -2.3962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7304 -4.0404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8177 -2.8684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2158 -2.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4345 -1.6891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 15 2 0 0 0 0
3 8 1 0 0 0 0
3 11 1 0 0 0 0
3 12 1 0 0 0 0
4 13 1 0 0 0 0
4 15 1 0 0 0 0
4 29 1 0 0 0 0
5 16 1 0 0 0 0
5 18 1 0 0 0 0
5 19 1 0 0 0 0
6 14 3 0 0 0 0
7 17 1 0 0 0 0
7 18 2 0 0 0 0
8 9 1 0 0 0 0
8 14 1 1 0 0 0
8 20 1 0 0 0 0
9 10 1 0 0 0 0
9 21 1 0 0 0 0
9 22 1 0 0 0 0
10 11 1 0 0 0 0
10 23 1 0 0 0 0
10 24 1 0 0 0 0
11 25 1 0 0 0 0
11 26 1 0 0 0 0
12 13 1 0 0 0 0
13 27 1 0 0 0 0
13 28 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 30 1 0 0 0 0
18 31 1 0 0 0 0
19 32 1 0 0 0 0
19 33 1 0 0 0 0
19 34 1 0 0 0 0
M END
$$$$