B9REA1
-OEChem-04022103202D
44 46 0 0 0 0 0 0 0999 V2000
4.2690 2.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -2.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 2.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5010 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5010 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5999 2.9065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0836 3.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6087 4.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3934 4.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9184 3.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 1.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 0.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8015 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0044 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0930 -0.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7130 -1.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -0.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -0.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1360 -1.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -3.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8451 -3.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -4.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0851 -3.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 2 0 0 0 0
2 22 1 0 0 0 0
2 23 1 0 0 0 0
3 6 1 0 0 0 0
3 9 1 0 0 0 0
3 29 1 0 0 0 0
4 13 1 0 0 0 0
4 14 2 0 0 0 0
5 15 1 0 0 0 0
5 36 1 0 0 0 0
5 37 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 24 1 0 0 0 0
7 8 1 0 0 0 0
7 25 1 0 0 0 0
7 26 1 0 0 0 0
8 27 1 0 0 0 0
8 28 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
10 12 2 0 0 0 0
11 13 2 0 0 0 0
11 15 1 0 0 0 0
12 14 1 0 0 0 0
12 30 1 0 0 0 0
13 17 1 0 0 0 0
14 16 1 0 0 0 0
15 31 1 0 0 0 0
15 32 1 0 0 0 0
16 18 2 0 0 0 0
16 19 1 0 0 0 0
17 33 1 0 0 0 0
17 34 1 0 0 0 0
17 35 1 0 0 0 0
18 20 1 0 0 0 0
18 38 1 0 0 0 0
19 21 2 0 0 0 0
19 39 1 0 0 0 0
20 22 2 0 0 0 0
20 40 1 0 0 0 0
21 22 1 0 0 0 0
21 41 1 0 0 0 0
23 42 1 0 0 0 0
23 43 1 0 0 0 0
23 44 1 0 0 0 0
M END
$$$$