B9SJY5
-OEChem-04012114562D
25 25 0 0 0 0 0 0 0999 V2000
2.5369 -3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 3.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1909 -0.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7924 -0.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4810 -0.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8796 -0.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6150 -2.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0135 -1.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3249 -1.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9264 -2.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 25 1 0 0 0 0
2 10 2 0 0 0 0
3 13 2 0 0 0 0
4 7 1 0 0 0 0
4 10 1 0 0 0 0
4 11 1 0 0 0 0
5 10 1 0 0 0 0
5 13 1 0 0 0 0
5 23 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 14 1 0 0 0 0
6 15 1 0 0 0 0
7 16 1 0 0 0 0
7 17 1 0 0 0 0
8 9 1 0 0 0 0
8 18 1 0 0 0 0
8 19 1 0 0 0 0
9 20 1 0 0 0 0
9 21 1 0 0 0 0
11 12 2 0 0 0 0
11 22 1 0 0 0 0
12 13 1 0 0 0 0
12 24 1 0 0 0 0
M END
$$$$