BD51QE
-OEChem-04022102272D
45 45 0 1 0 0 0 0 0999 V2000
5.1350 3.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
11.1763 6.2319 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 3.0791 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
0.3660 4.4451 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1.3660 2.7130 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 3.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 5.0791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 6.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5127 5.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7036 6.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1818 6.3364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.6818 7.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 4.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8671 4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.7331 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8660 3.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 4.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2027 5.0563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0142 5.2288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6388 7.6111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0836 6.9945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4040 5.7576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2482 7.4546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4902 7.7921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 3.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3110 5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6910 3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1360 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2700 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2700 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 3.8891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
14 2 1 6 0 0 0
3 25 1 0 0 0 0
4 26 1 0 0 0 0
5 26 1 0 0 0 0
6 26 1 0 0 0 0
7 18 2 0 0 0 0
8 27 1 0 0 0 0
8 45 1 0 0 0 0
9 27 2 0 0 0 0
10 12 1 0 0 0 0
10 13 1 0 0 0 0
10 18 1 0 0 0 0
16 11 1 1 0 0 0
11 40 1 0 0 0 0
11 41 1 0 0 0 0
12 14 1 0 0 0 0
12 28 1 0 0 0 0
12 29 1 0 0 0 0
13 15 1 0 0 0 0
13 30 1 0 0 0 0
13 31 1 0 0 0 0
14 15 1 0 0 0 0
14 32 1 0 0 0 0
15 33 1 0 0 0 0
15 34 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
16 35 1 0 0 0 0
17 19 1 0 0 0 0
17 20 1 6 0 0 0
17 36 1 0 0 0 0
19 21 2 0 0 0 0
19 22 1 0 0 0 0
20 37 1 0 0 0 0
20 38 1 0 0 0 0
20 39 1 0 0 0 0
21 23 1 0 0 0 0
22 24 2 0 0 0 0
22 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
26 27 1 0 0 0 0
M END
$$$$