BOHQ78
-OEChem-04022103312D
48 51 0 1 0 0 0 0 0999 V2000
4.2690 -3.6550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -2.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5453 -2.4597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5453 -0.8503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.8450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4030 0.8450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2690 2.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2690 0.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.1350 1.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2690 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1289 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2131 1.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6116 2.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6025 -3.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3996 -3.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7489 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 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 37 1 0 0 0 0
10 4 1 1 0 0 0
4 38 1 0 0 0 0
12 5 1 6 0 0 0
5 39 1 0 0 0 0
6 16 1 0 0 0 0
6 44 1 0 0 0 0
7 8 1 0 0 0 0
7 24 1 0 0 0 0
7 26 1 0 0 0 0
8 28 2 0 0 0 0
9 26 2 0 0 0 0
9 28 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 30 1 0 0 0 0
11 13 1 0 0 0 0
11 29 1 0 0 0 0
12 14 1 0 0 0 0
12 31 1 0 0 0 0
13 15 1 1 0 0 0
13 32 1 0 0 0 0
14 16 1 1 0 0 0
14 33 1 0 0 0 0
15 17 2 0 0 0 0
15 18 1 0 0 0 0
16 34 1 0 0 0 0
16 35 1 0 0 0 0
17 19 1 0 0 0 0
17 36 1 0 0 0 0
18 21 2 0 0 0 0
18 40 1 0 0 0 0
19 20 1 0 0 0 0
19 22 2 0 0 0 0
20 23 1 0 0 0 0
20 41 1 0 0 0 0
20 42 1 0 0 0 0
21 22 1 0 0 0 0
21 43 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
24 45 1 0 0 0 0
25 27 2 0 0 0 0
25 46 1 0 0 0 0
26 27 1 0 0 0 0
27 47 1 0 0 0 0
28 48 1 0 0 0 0
M END
$$$$