BHO64X
-OEChem-04022106102D
38 39 0 1 0 0 0 0 0999 V2000
4.2690 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6025 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3996 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9230 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5244 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0791 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4776 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3996 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6025 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0431 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2700 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4231 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8250 -3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4450 -2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0 0 0 0
1 19 1 0 0 0 0
2 16 1 0 0 0 0
2 35 1 0 0 0 0
3 6 1 0 0 0 0
3 7 1 0 0 0 0
3 10 1 0 0 0 0
4 8 1 0 0 0 0
4 9 1 0 0 0 0
4 12 1 0 0 0 0
5 13 3 0 0 0 0
6 8 1 0 0 0 0
6 20 1 0 0 0 0
6 21 1 0 0 0 0
7 9 1 0 0 0 0
7 22 1 0 0 0 0
7 23 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
10 11 1 0 0 0 0
10 13 1 0 0 0 0
10 28 1 0 0 0 0
11 14 2 0 0 0 0
11 15 1 0 0 0 0
12 29 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
14 16 1 0 0 0 0
14 32 1 0 0 0 0
15 17 2 0 0 0 0
15 33 1 0 0 0 0
16 18 2 0 0 0 0
17 18 1 0 0 0 0
17 34 1 0 0 0 0
19 36 1 0 0 0 0
19 37 1 0 0 0 0
19 38 1 0 0 0 0
M END
$$$$