BKL7W0
-OEChem-04022107032D
44 47 0 0 0 0 0 0 0999 V2000
4.5106 -0.8470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3255 2.9647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9423 -1.8182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.8792 -2.4306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2339 -2.9722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6782 2.4294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2959 -0.1226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0091 1.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3181 0.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2962 0.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0150 1.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7086 0.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9654 1.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5124 0.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6564 2.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6028 -0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9875 1.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3334 2.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3692 3.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6994 0.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3170 0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6200 -0.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3191 2.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6086 -1.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5875 -1.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9002 -2.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1918 -3.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1826 -0.9241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3970 1.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5313 3.0508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9588 3.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1776 3.9702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7795 3.1889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5152 -0.0857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8093 -1.2830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9056 2.7168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3942 1.1380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7090 0.3397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2012 -1.1880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6068 -0.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6029 -3.5744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3857 -3.9694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7807 -3.1866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0 0 0 0
2 15 2 0 0 0 0
3 25 2 0 0 0 0
4 27 1 0 0 0 0
4 28 1 0 0 0 0
5 27 2 0 0 0 0
6 8 1 0 0 0 0
6 15 1 0 0 0 0
6 19 1 0 0 0 0
7 21 1 0 0 0 0
7 25 1 0 0 0 0
7 39 1 0 0 0 0
8 9 2 0 0 0 0
8 11 1 0 0 0 0
9 10 1 0 0 0 0
9 14 1 0 0 0 0
10 13 2 0 0 0 0
10 16 1 0 0 0 0
11 12 1 0 0 0 0
11 18 2 0 0 0 0
12 14 1 0 0 0 0
12 20 2 0 0 0 0
13 15 1 0 0 0 0
13 17 1 0 0 0 0
16 22 2 0 0 0 0
16 29 1 0 0 0 0
17 21 2 0 0 0 0
17 30 1 0 0 0 0
18 23 1 0 0 0 0
18 31 1 0 0 0 0
19 32 1 0 0 0 0
19 33 1 0 0 0 0
19 34 1 0 0 0 0
20 24 1 0 0 0 0
20 35 1 0 0 0 0
21 22 1 0 0 0 0
22 36 1 0 0 0 0
23 24 2 0 0 0 0
23 37 1 0 0 0 0
24 38 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
26 40 1 0 0 0 0
26 41 1 0 0 0 0
28 42 1 0 0 0 0
28 43 1 0 0 0 0
28 44 1 0 0 0 0
M END
$$$$