BJ27AZ
-OEChem-04022105032D
46 47 0 1 0 0 0 0 0999 V2000
2.0000 0.2694 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0
6.3021 -2.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.7694 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
3.7320 -0.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.2306 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.8712 -2.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5622 -3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5622 -3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2532 -2.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7694 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.3301 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5098 -1.9491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4376 -3.0705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1812 -2.2814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4974 -4.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1686 -3.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6728 -1.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2742 -0.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9557 -3.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6270 -4.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 -1.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2181 1.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9781 1.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 1.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 1.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 10 2 0 0 0 0
3 20 1 0 0 0 0
4 20 2 0 0 0 0
5 6 1 0 0 0 0
5 8 1 0 0 0 0
5 10 1 0 0 0 0
5 26 1 0 0 0 0
6 7 1 0 0 0 0
6 27 1 0 0 0 0
6 28 1 0 0 0 0
7 9 1 0 0 0 0
7 29 1 0 0 0 0
7 30 1 0 0 0 0
8 11 1 0 0 0 0
8 31 1 0 0 0 0
8 32 1 0 0 0 0
9 10 1 0 0 0 0
9 33 1 0 0 0 0
9 34 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
12 14 1 0 0 0 0
12 35 1 0 0 0 0
13 16 2 0 0 0 0
13 36 1 0 0 0 0
14 15 2 0 0 0 0
14 18 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
16 37 1 0 0 0 0
17 19 1 0 0 0 0
17 20 1 0 0 0 0
17 38 1 0 0 0 0
18 21 2 0 0 0 0
18 22 1 0 0 0 0
19 39 1 0 0 0 0
19 40 1 0 0 0 0
19 41 1 0 0 0 0
21 23 1 0 0 0 0
21 42 1 0 0 0 0
22 24 2 0 0 0 0
22 43 1 0 0 0 0
23 25 2 0 0 0 0
23 44 1 0 0 0 0
24 25 1 0 0 0 0
24 45 1 0 0 0 0
25 46 1 0 0 0 0
M CHG 2 1 1 3 -1
M END
$$$$