BKO4P9
-OEChem-04012118082D
42 44 0 1 0 0 0 0 0999 V2000
2.5313 -2.2966 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.2634 -5.2966 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.6693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7634 0.2423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 3.6874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5768 2.0694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4543 -0.7088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0724 -0.7088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3794 3.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9013 4.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4839 4.8898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5704 5.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 1.9648 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9945 2.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1756 1.0513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.1810 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7634 0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2634 -1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2634 -2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3973 -2.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1294 -2.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3973 -3.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1294 -3.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2634 -4.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4442 3.2787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9994 3.8953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4864 5.0142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3997 4.1890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0904 4.7609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6755 5.4795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8804 5.8335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0688 5.6610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9467 1.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9234 0.4849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1162 1.5634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5644 0.8820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2459 0.3302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8290 2.6358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9413 1.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6663 -2.4866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8604 -4.1066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6663 -4.1066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0 0 0 0
2 24 1 0 0 0 0
3 14 2 0 0 0 0
4 8 1 0 0 0 0
4 17 1 0 0 0 0
5 9 1 0 0 0 0
5 10 1 0 0 0 0
5 14 1 0 0 0 0
13 6 1 1 0 0 0
6 38 1 0 0 0 0
6 39 1 0 0 0 0
7 17 2 0 0 0 0
7 18 1 0 0 0 0
8 18 2 0 0 0 0
9 11 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 12 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
11 12 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 14 1 0 0 0 0
13 15 1 0 0 0 0
13 33 1 0 0 0 0
15 16 1 1 0 0 0
15 17 1 0 0 0 0
15 34 1 0 0 0 0
16 35 1 0 0 0 0
16 36 1 0 0 0 0
16 37 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
20 22 1 0 0 0 0
21 23 2 0 0 0 0
21 40 1 0 0 0 0
22 24 2 0 0 0 0
22 41 1 0 0 0 0
23 24 1 0 0 0 0
23 42 1 0 0 0 0
M END
$$$$