BHB6G7
-OEChem-04022108172D
42 43 0 0 0 0 0 0 0999 V2000
6.3301 3.8450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.1550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3301 3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -5.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -4.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 -3.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 -3.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -5.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -5.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -3.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -3.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 -1.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 -2.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0 0 0 0
1 5 2 0 0 0 0
1 9 1 0 0 0 0
1 18 1 0 0 0 0
2 16 2 0 0 0 0
3 13 1 0 0 0 0
3 14 1 0 0 0 0
6 10 1 0 0 0 0
6 11 1 0 0 0 0
6 12 1 0 0 0 0
7 15 1 0 0 0 0
7 16 1 0 0 0 0
7 35 1 0 0 0 0
8 16 1 0 0 0 0
8 17 1 0 0 0 0
8 36 1 0 0 0 0
9 41 1 0 0 0 0
9 42 1 0 0 0 0
10 13 1 0 0 0 0
10 23 1 0 0 0 0
10 24 1 0 0 0 0
11 14 1 0 0 0 0
11 25 1 0 0 0 0
11 26 1 0 0 0 0
12 15 1 0 0 0 0
12 27 1 0 0 0 0
12 28 1 0 0 0 0
13 29 1 0 0 0 0
13 30 1 0 0 0 0
14 31 1 0 0 0 0
14 32 1 0 0 0 0
15 33 1 0 0 0 0
15 34 1 0 0 0 0
17 19 2 0 0 0 0
17 20 1 0 0 0 0
18 21 2 0 0 0 0
18 22 1 0 0 0 0
19 21 1 0 0 0 0
19 37 1 0 0 0 0
20 22 2 0 0 0 0
20 38 1 0 0 0 0
21 39 1 0 0 0 0
22 40 1 0 0 0 0
M END
$$$$