BJBH34
-OEChem-04012118142D
41 42 0 0 0 0 0 0 0999 V2000
9.7942 -2.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
13.2583 0.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0
5.4641 1.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.3923 1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
11.5263 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8501 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4516 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0656 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8626 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3913 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0 0 0 0
2 27 1 0 0 0 0
4 20 1 0 0 0 0
5 11 1 0 0 0 0
5 14 1 0 0 0 0
6 28 1 0 0 0 0
7 28 2 0 0 0 0
8 12 2 0 0 0 0
8 22 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
9 13 1 0 0 0 0
10 12 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 15 1 0 0 0 0
12 19 1 0 0 0 0
13 17 2 0 0 0 0
13 31 1 0 0 0 0
14 16 1 0 0 0 0
14 32 1 0 0 0 0
14 33 1 0 0 0 0
15 18 2 0 0 0 0
15 34 1 0 0 0 0
16 20 2 0 0 0 0
16 21 1 0 0 0 0
17 18 1 0 0 0 0
18 35 1 0 0 0 0
19 23 2 0 0 0 0
19 36 1 0 0 0 0
20 25 1 0 0 0 0
21 26 2 0 0 0 0
21 37 1 0 0 0 0
22 24 2 0 0 0 0
22 28 1 0 0 0 0
23 24 1 0 0 0 0
23 38 1 0 0 0 0
24 39 1 0 0 0 0
25 27 2 0 0 0 0
25 40 1 0 0 0 0
26 27 1 0 0 0 0
26 41 1 0 0 0 0
M CHG 2 3 1 6 -1
M END
$$$$