BR94VL
-OEChem-04012112342D
43 44 0 1 0 0 0 0 0999 V2000
6.3301 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5422 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9407 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9407 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5422 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8626 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0656 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 12 1 0 0 0 0
2 13 1 0 0 0 0
2 14 1 0 0 0 0
11 3 1 6 0 0 0
3 42 1 0 0 0 0
3 43 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 7 1 0 0 0 0
4 18 1 0 0 0 0
5 8 1 0 0 0 0
5 19 1 0 0 0 0
5 20 1 0 0 0 0
6 9 1 0 0 0 0
6 21 1 0 0 0 0
6 22 1 0 0 0 0
7 11 1 0 0 0 0
7 23 1 0 0 0 0
7 24 1 0 0 0 0
8 10 1 0 0 0 0
8 25 1 0 0 0 0
8 26 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 29 1 0 0 0 0
10 30 1 0 0 0 0
11 12 1 0 0 0 0
11 31 1 0 0 0 0
13 15 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
14 16 1 0 0 0 0
14 34 1 0 0 0 0
14 35 1 0 0 0 0
15 17 1 0 0 0 0
15 36 1 0 0 0 0
15 37 1 0 0 0 0
16 17 1 0 0 0 0
16 38 1 0 0 0 0
16 39 1 0 0 0 0
17 40 1 0 0 0 0
17 41 1 0 0 0 0
M END
$$$$