BKL7W1
-OEChem-04022105062D
49 49 0 1 0 0 0 0 0999 V2000
7.1962 5.0194 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0
2.0000 -0.9806 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0
6.3021 -3.7594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.4806 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
3.7320 -1.9806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.0194 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
5.4641 4.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -3.4806 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.8712 -4.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5622 -5.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5622 -5.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2532 -4.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.4806 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.3301 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5098 -3.1991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4376 -4.3205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1812 -3.5314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4974 -5.6360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1686 -5.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6728 -2.5882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2742 -1.8980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9557 -5.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6270 -5.6360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -0.6706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.1006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 -2.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.1006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2181 0.5194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9781 0.5194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 0.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 2.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 2.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3 13 2 0 0 0 0
4 25 1 0 0 0 0
5 25 2 0 0 0 0
6 29 1 0 0 0 0
7 29 2 0 0 0 0
8 9 1 0 0 0 0
8 11 1 0 0 0 0
8 13 1 0 0 0 0
8 30 1 0 0 0 0
9 10 1 0 0 0 0
9 31 1 0 0 0 0
9 32 1 0 0 0 0
10 12 1 0 0 0 0
10 33 1 0 0 0 0
10 34 1 0 0 0 0
11 14 1 0 0 0 0
11 35 1 0 0 0 0
11 36 1 0 0 0 0
12 13 1 0 0 0 0
12 37 1 0 0 0 0
12 38 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
15 17 1 0 0 0 0
15 39 1 0 0 0 0
16 19 2 0 0 0 0
16 40 1 0 0 0 0
17 18 2 0 0 0 0
17 21 1 0 0 0 0
18 19 1 0 0 0 0
18 20 1 0 0 0 0
19 41 1 0 0 0 0
20 22 1 0 0 0 0
20 25 1 0 0 0 0
20 42 1 0 0 0 0
21 23 2 0 0 0 0
21 24 1 0 0 0 0
22 43 1 0 0 0 0
22 44 1 0 0 0 0
22 45 1 0 0 0 0
23 26 1 0 0 0 0
23 46 1 0 0 0 0
24 27 2 0 0 0 0
24 47 1 0 0 0 0
26 28 2 0 0 0 0
26 48 1 0 0 0 0
27 28 1 0 0 0 0
27 49 1 0 0 0 0
28 29 1 0 0 0 0
M CHG 4 1 1 2 1 4 -1 6 -1
M END
$$$$