BHE45S
-OEChem-04022109102D
39 40 0 1 0 0 0 0 0999 V2000
2.1130 0.0406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5772 1.0406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7111 2.5406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 -3.4594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8451 0.0406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 -1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1130 -1.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8451 -1.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 3.1284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2111 4.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2111 4.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5202 3.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1130 -2.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8451 -2.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7111 1.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8451 1.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 2.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5160 -1.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9010 -1.3768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5025 -2.0671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4557 -2.0671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0572 -1.3768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8051 2.5160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2759 4.6960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6047 4.2083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8176 4.2083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1463 4.6960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8302 2.5914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0865 3.3805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5025 -2.8518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9010 -3.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0572 -3.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4557 -2.8518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 -4.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6330 1.6232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2345 0.9329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3820 -0.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 2 0 0 0 0
2 17 2 0 0 0 0
3 10 1 0 0 0 0
3 13 1 0 0 0 0
3 17 1 0 0 0 0
4 14 1 0 0 0 0
4 15 1 0 0 0 0
4 36 1 0 0 0 0
5 16 1 0 0 0 0
5 18 1 0 0 0 0
5 39 1 0 0 0 0
6 19 3 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 16 1 0 0 0 0
7 20 1 0 0 0 0
8 14 1 0 0 0 0
8 21 1 0 0 0 0
8 22 1 0 0 0 0
9 15 1 0 0 0 0
9 23 1 0 0 0 0
9 24 1 0 0 0 0
10 11 1 0 0 0 0
10 19 1 6 0 0 0
10 25 1 0 0 0 0
11 12 1 0 0 0 0
11 26 1 0 0 0 0
11 27 1 0 0 0 0
12 13 1 0 0 0 0
12 28 1 0 0 0 0
12 29 1 0 0 0 0
13 30 1 0 0 0 0
13 31 1 0 0 0 0
14 32 1 0 0 0 0
14 33 1 0 0 0 0
15 34 1 0 0 0 0
15 35 1 0 0 0 0
17 18 1 0 0 0 0
18 37 1 0 0 0 0
18 38 1 0 0 0 0
M END
$$$$