BNEG31
-OEChem-04012115002D
44 46 0 1 0 0 0 0 0999 V2000
5.5981 -3.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 -4.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 4.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.7320 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 -0.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
3.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0622 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8395 -0.3489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9750 1.5146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0250 1.5146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4174 0.4621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8923 -0.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1996 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9966 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8626 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0656 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4082 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8067 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9272 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7331 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7932 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5991 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7331 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7932 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5991 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0 0 0 0
2 22 1 0 0 0 0
3 25 1 0 0 0 0
4 10 2 0 0 0 0
5 7 1 0 0 0 0
5 10 1 0 0 0 0
5 31 1 0 0 0 0
6 12 1 0 0 0 0
6 13 1 0 0 0 0
6 14 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 26 1 0 0 0 0
8 9 1 0 0 0 0
8 27 1 0 0 0 0
8 28 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
11 32 1 0 0 0 0
11 33 1 0 0 0 0
12 34 1 0 0 0 0
12 35 1 0 0 0 0
13 15 1 0 0 0 0
13 36 1 0 0 0 0
13 37 1 0 0 0 0
14 16 2 0 0 0 0
14 17 1 0 0 0 0
15 18 2 0 0 0 0
15 19 1 0 0 0 0
16 20 1 0 0 0 0
16 38 1 0 0 0 0
17 21 2 0 0 0 0
17 39 1 0 0 0 0
18 23 1 0 0 0 0
18 40 1 0 0 0 0
19 24 2 0 0 0 0
19 41 1 0 0 0 0
20 22 2 0 0 0 0
21 22 1 0 0 0 0
21 42 1 0 0 0 0
23 25 2 0 0 0 0
23 43 1 0 0 0 0
24 25 1 0 0 0 0
24 44 1 0 0 0 0
M END
$$$$