BINJ79
-OEChem-04022106522D
45 48 0 1 0 0 0 0 0999 V2000
3.4584 -3.1803 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
11.4842 -1.7611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2015 -2.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.3197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.1803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1391 -0.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8301 -1.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5211 -0.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8301 -1.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1546 -0.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8575 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5151 -2.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8348 -1.2322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.5356 -2.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5057 -0.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1452 -2.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8028 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1246 -2.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1402 -0.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5068 -1.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9407 0.5726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5422 1.2629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3393 -0.0834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3167 -3.2307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4408 -1.1010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9487 -2.8969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3209 -0.0834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3435 -3.2307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1968 -1.3127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7306 -0.4693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3295 0.3104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5498 -0.0907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 2.4903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.0603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.3003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 0.8703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9008 -2.2203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0 0 0 0
2 24 1 0 0 0 0
2 45 1 0 0 0 0
3 24 2 0 0 0 0
4 6 1 0 0 0 0
4 8 1 0 0 0 0
4 10 1 0 0 0 0
5 28 3 0 0 0 0
6 7 2 0 0 0 0
6 11 1 0 0 0 0
7 9 1 0 0 0 0
7 13 1 0 0 0 0
8 9 2 0 0 0 0
8 16 1 0 0 0 0
9 17 1 0 0 0 0
10 18 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 12 2 0 0 0 0
11 31 1 0 0 0 0
12 14 1 0 0 0 0
12 15 1 0 0 0 0
13 15 2 0 0 0 0
13 32 1 0 0 0 0
14 21 1 0 0 0 0
14 24 1 0 0 0 0
14 33 1 0 0 0 0
15 34 1 0 0 0 0
16 19 2 0 0 0 0
16 35 1 0 0 0 0
17 20 2 0 0 0 0
17 36 1 0 0 0 0
18 22 2 0 0 0 0
18 23 1 0 0 0 0
19 20 1 0 0 0 0
19 37 1 0 0 0 0
21 38 1 0 0 0 0
21 39 1 0 0 0 0
21 40 1 0 0 0 0
22 25 1 0 0 0 0
22 41 1 0 0 0 0
23 26 2 0 0 0 0
23 42 1 0 0 0 0
25 27 2 0 0 0 0
25 43 1 0 0 0 0
26 27 1 0 0 0 0
26 44 1 0 0 0 0
27 28 1 0 0 0 0
M END
$$$$