BRLO31
-OEChem-04022104512D
38 38 0 0 0 0 0 0 0999 V2000
4.4625 -2.5581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1980 0.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9055 1.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1503 0.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6980 -0.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1980 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -1.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3320 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7573 -2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1204 1.8922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2760 2.0879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3436 0.9334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3441 1.8102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4673 1.8107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9612 -0.2301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7408 0.1713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3394 0.9508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0780 -0.2007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.4381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 1.6408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 0.9505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 0.1658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -0.5245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7968 -1.2272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4860 2.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.1781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2460 2.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3044 -0.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2654 -1.7238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3798 -2.5931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2491 -2.4787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 2 0 0 0 0
2 3 1 0 0 0 0
2 4 1 0 0 0 0
2 5 1 0 0 0 0
2 6 1 0 0 0 0
3 7 1 0 0 0 0
3 17 1 0 0 0 0
3 18 1 0 0 0 0
4 19 1 0 0 0 0
4 20 1 0 0 0 0
4 21 1 0 0 0 0
5 22 1 0 0 0 0
5 23 1 0 0 0 0
5 24 1 0 0 0 0
6 11 2 0 0 0 0
6 25 1 0 0 0 0
7 8 2 0 0 0 0
7 26 1 0 0 0 0
8 9 1 0 0 0 0
8 12 1 0 0 0 0
9 10 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
10 13 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 15 1 0 0 0 0
11 31 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
12 34 1 0 0 0 0
13 14 2 0 0 0 0
13 35 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
16 36 1 0 0 0 0
16 37 1 0 0 0 0
16 38 1 0 0 0 0
M END
$$$$