BO76YP
-OEChem-04012113342D
43 45 0 0 0 0 0 0 0999 V2000
2.8660 -1.9239 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 2.6149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.0761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -0.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7891 1.6639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4071 1.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3852 1.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 2.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6859 3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0544 1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6943 2.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0325 1.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6724 3.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3415 2.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9641 -1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1874 3.0595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0503 3.9255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1843 3.7884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8628 0.5390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2794 3.2836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4474 0.8758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8640 3.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9480 2.4165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 0.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -0.9609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4272 -1.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2741 -1.8269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5010 -0.9800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1541 -3.9609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -3.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7741 -2.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
2 6 1 0 0 0 0
2 11 1 0 0 0 0
3 12 1 0 0 0 0
3 23 1 0 0 0 0
4 13 1 0 0 0 0
4 24 1 0 0 0 0
5 16 1 0 0 0 0
5 25 1 0 0 0 0
6 8 2 0 0 0 0
7 8 1 0 0 0 0
7 10 1 0 0 0 0
7 11 2 0 0 0 0
8 9 1 0 0 0 0
9 12 2 0 0 0 0
9 13 1 0 0 0 0
10 18 2 0 0 0 0
10 19 1 0 0 0 0
11 17 1 0 0 0 0
12 14 1 0 0 0 0
13 15 2 0 0 0 0
14 16 2 0 0 0 0
15 16 1 0 0 0 0
15 26 1 0 0 0 0
17 27 1 0 0 0 0
17 28 1 0 0 0 0
17 29 1 0 0 0 0
18 20 1 0 0 0 0
18 30 1 0 0 0 0
19 21 2 0 0 0 0
19 31 1 0 0 0 0
20 22 2 0 0 0 0
20 32 1 0 0 0 0
21 22 1 0 0 0 0
21 33 1 0 0 0 0
22 34 1 0 0 0 0
23 35 1 0 0 0 0
23 36 1 0 0 0 0
23 37 1 0 0 0 0
24 38 1 0 0 0 0
24 39 1 0 0 0 0
24 40 1 0 0 0 0
25 41 1 0 0 0 0
25 42 1 0 0 0 0
25 43 1 0 0 0 0
M END
$$$$