B2K1DI
-OEChem-04022103182D
37 39 0 1 0 0 0 0 0999 V2000
2.0000 2.9513 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
8.1282 0.4272 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.7622 1.7932 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.7622 0.0611 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 0.9272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2622 3.9272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1282 2.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9562 -3.6172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6882 -3.5972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3961 1.4272 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.6641 1.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6641 2.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3961 2.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7702 0.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 2.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7817 -0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2622 0.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7702 2.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 1.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 2.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2622 2.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6535 -0.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9215 -0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6650 -1.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9331 -1.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8048 -2.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8164 -3.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3961 0.8072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 3.5472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7773 3.5818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3284 1.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1868 -0.2812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3810 -0.3136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2055 -1.9011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3998 -1.9335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7991 4.2372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9634 -4.2372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0 0 0 0
2 17 1 0 0 0 0
3 17 1 0 0 0 0
4 17 1 0 0 0 0
5 10 1 0 0 0 0
5 11 1 0 0 0 0
6 21 1 0 0 0 0
6 36 1 0 0 0 0
7 21 2 0 0 0 0
8 27 1 0 0 0 0
8 37 1 0 0 0 0
9 27 2 0 0 0 0
10 13 1 0 0 0 0
10 17 1 0 0 0 0
10 28 1 0 0 0 0
11 12 2 0 0 0 0
11 14 1 0 0 0 0
12 15 1 0 0 0 0
12 18 1 0 0 0 0
13 15 2 0 0 0 0
13 21 1 0 0 0 0
14 16 1 0 0 0 0
14 19 2 0 0 0 0
15 29 1 0 0 0 0
16 22 2 0 0 0 0
16 23 1 0 0 0 0
18 20 2 0 0 0 0
18 30 1 0 0 0 0
19 20 1 0 0 0 0
19 31 1 0 0 0 0
22 24 1 0 0 0 0
22 32 1 0 0 0 0
23 25 2 0 0 0 0
23 33 1 0 0 0 0
24 26 2 0 0 0 0
24 34 1 0 0 0 0
25 26 1 0 0 0 0
25 35 1 0 0 0 0
26 27 1 0 0 0 0
M END
$$$$