BKC3M7
-OEChem-04022101302D
52 56 0 0 0 0 0 0 0999 V2000
6.3301 2.3030 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
11.4580 1.3030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.9580 0.4369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.9580 -1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8744 2.1077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8744 0.4982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4580 1.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9580 0.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9580 -1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4580 -0.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9580 0.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4580 -0.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9580 -1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4580 -2.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4580 -0.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.9230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0670 2.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.4230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -1.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 0.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2680 0.9739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8380 -0.4291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6480 -1.8320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.0770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9211 -2.4711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7680 -2.6981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9950 -1.8511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5780 0.4369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
2 14 1 0 0 0 0
2 21 1 0 0 0 0
3 33 1 0 0 0 0
3 52 1 0 0 0 0
4 33 2 0 0 0 0
5 8 1 0 0 0 0
5 14 1 0 0 0 0
5 36 1 0 0 0 0
6 9 1 0 0 0 0
6 14 2 0 0 0 0
7 10 1 0 0 0 0
7 11 2 0 0 0 0
7 12 1 0 0 0 0
8 9 2 0 0 0 0
8 13 1 0 0 0 0
9 11 1 0 0 0 0
10 16 2 0 0 0 0
10 17 1 0 0 0 0
11 34 1 0 0 0 0
12 13 2 0 0 0 0
13 35 1 0 0 0 0
15 18 2 0 0 0 0
15 19 1 0 0 0 0
15 20 1 0 0 0 0
16 18 1 0 0 0 0
16 37 1 0 0 0 0
17 19 2 0 0 0 0
17 38 1 0 0 0 0
18 39 1 0 0 0 0
19 40 1 0 0 0 0
20 27 2 0 0 0 0
20 28 1 0 0 0 0
21 24 2 0 0 0 0
21 25 1 0 0 0 0
22 23 2 0 0 0 0
22 26 1 0 0 0 0
22 29 1 0 0 0 0
23 24 1 0 0 0 0
23 33 1 0 0 0 0
24 41 1 0 0 0 0
25 26 2 0 0 0 0
25 42 1 0 0 0 0
26 43 1 0 0 0 0
27 30 1 0 0 0 0
27 44 1 0 0 0 0
28 31 2 0 0 0 0
28 45 1 0 0 0 0
29 46 1 0 0 0 0
29 47 1 0 0 0 0
29 48 1 0 0 0 0
30 32 2 0 0 0 0
30 49 1 0 0 0 0
31 32 1 0 0 0 0
31 50 1 0 0 0 0
32 51 1 0 0 0 0
M END
$$$$