BJ4O8E
-OEChem-04012113392D
45 46 0 1 0 0 0 0 0999 V2000
4.9338 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
10.2278 8.7038 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.8677 7.4426 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.9666 8.0639 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 6.4980 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 2.4980 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 3.4980 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 3.9980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9282 5.4980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6602 6.4980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6065 5.1933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 3.9980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.1901 5.9980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9282 6.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 6.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 4.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6602 5.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 5.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3301 4.9980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0622 4.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4641 5.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6065 6.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 4.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9171 7.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 5.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 3.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 3.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 4.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 3.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7162 7.0806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3176 6.3904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1928 7.4730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3957 7.4730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3957 4.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1928 4.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5947 5.9730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7976 5.9730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7932 4.6880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8626 5.9730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0656 5.9730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8671 3.6880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7932 3.6880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 3.6880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3291 5.3080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9338 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 45 1 0 0 0 0
2 24 1 0 0 0 0
3 24 1 0 0 0 0
4 24 1 0 0 0 0
5 25 1 0 0 0 0
6 27 1 0 0 0 0
7 29 1 0 0 0 0
8 20 2 0 0 0 0
9 14 1 0 0 0 0
9 16 1 0 0 0 0
9 20 1 0 0 0 0
10 15 1 0 0 0 0
10 17 1 0 0 0 0
10 22 1 0 0 0 0
11 13 1 0 0 0 0
11 17 2 0 0 0 0
19 12 1 6 0 0 0
12 41 1 0 0 0 0
12 42 1 0 0 0 0
13 22 2 0 0 0 0
14 15 1 0 0 0 0
14 30 1 0 0 0 0
14 31 1 0 0 0 0
15 32 1 0 0 0 0
15 33 1 0 0 0 0
16 17 1 0 0 0 0
16 34 1 0 0 0 0
16 35 1 0 0 0 0
18 19 1 0 0 0 0
18 20 1 0 0 0 0
18 36 1 0 0 0 0
18 37 1 0 0 0 0
19 21 1 0 0 0 0
19 38 1 0 0 0 0
21 23 1 0 0 0 0
21 39 1 0 0 0 0
21 40 1 0 0 0 0
22 24 1 0 0 0 0
23 25 1 0 0 0 0
23 26 2 0 0 0 0
25 28 2 0 0 0 0
26 27 1 0 0 0 0
26 43 1 0 0 0 0
27 29 2 0 0 0 0
28 29 1 0 0 0 0
28 44 1 0 0 0 0
M END
$$$$