B8XN4U
-OEChem-04022101062D
46 48 0 1 0 0 0 0 0999 V2000
4.5772 2.6012 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.6307 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 -3.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5772 -3.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5772 -1.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 4.6012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6636 -2.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4727 -4.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 -3.7352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4945 -4.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 -1.8988 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3092 -1.3988 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4432 -2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 -0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 -1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 4.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 4.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9736 -2.4551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1621 -2.6276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5375 -5.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0927 -4.3933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7723 -3.1564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9281 -4.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6861 -5.1909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 -1.2788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 -2.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8653 -2.4357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7122 -2.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4853 -1.3618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0403 -1.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5772 -0.7788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7122 -0.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9063 -0.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7122 1.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9063 1.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7122 2.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9063 4.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7122 4.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
9 2 1 6 0 0 0
3 13 2 0 0 0 0
4 7 1 0 0 0 0
4 8 1 0 0 0 0
4 13 1 0 0 0 0
11 5 1 1 0 0 0
5 38 1 0 0 0 0
5 39 1 0 0 0 0
6 24 2 0 0 0 0
6 25 1 0 0 0 0
7 9 1 0 0 0 0
7 26 1 0 0 0 0
7 27 1 0 0 0 0
8 10 1 0 0 0 0
8 28 1 0 0 0 0
8 29 1 0 0 0 0
9 10 1 0 0 0 0
9 30 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 33 1 0 0 0 0
12 14 1 0 0 0 0
12 15 1 6 0 0 0
12 34 1 0 0 0 0
14 16 2 0 0 0 0
14 17 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
15 37 1 0 0 0 0
16 18 1 0 0 0 0
16 40 1 0 0 0 0
17 19 2 0 0 0 0
17 41 1 0 0 0 0
18 20 2 0 0 0 0
18 42 1 0 0 0 0
19 20 1 0 0 0 0
19 43 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
22 24 1 0 0 0 0
23 25 2 0 0 0 0
23 44 1 0 0 0 0
24 45 1 0 0 0 0
25 46 1 0 0 0 0
M END
$$$$