B6YRO1
-OEChem-04022105062D
50 51 0 1 0 0 0 0 0999 V2000
6.3301 4.0194 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.4806 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0
6.3021 -3.2594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.0194 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
3.7320 -1.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.9806 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.8712 -3.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5622 -4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5622 -4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2532 -3.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.0194 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.3301 1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5098 -2.6991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4376 -3.8205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1812 -3.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4974 -5.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1686 -4.6483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6728 -2.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2742 -1.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9557 -4.6483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6270 -5.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 -1.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2181 1.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9781 1.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 1.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 1.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 2.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 2.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5062 3.9825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 4.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8862 5.0564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 26 1 0 0 0 0
1 27 1 0 0 0 0
3 11 2 0 0 0 0
4 21 1 0 0 0 0
5 21 2 0 0 0 0
6 7 1 0 0 0 0
6 9 1 0 0 0 0
6 11 1 0 0 0 0
6 28 1 0 0 0 0
7 8 1 0 0 0 0
7 29 1 0 0 0 0
7 30 1 0 0 0 0
8 10 1 0 0 0 0
8 31 1 0 0 0 0
8 32 1 0 0 0 0
9 12 1 0 0 0 0
9 33 1 0 0 0 0
9 34 1 0 0 0 0
10 11 1 0 0 0 0
10 35 1 0 0 0 0
10 36 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
13 15 1 0 0 0 0
13 37 1 0 0 0 0
14 17 2 0 0 0 0
14 38 1 0 0 0 0
15 16 2 0 0 0 0
15 19 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
17 39 1 0 0 0 0
18 20 1 0 0 0 0
18 21 1 0 0 0 0
18 40 1 0 0 0 0
19 22 2 0 0 0 0
19 23 1 0 0 0 0
20 41 1 0 0 0 0
20 42 1 0 0 0 0
20 43 1 0 0 0 0
22 24 1 0 0 0 0
22 44 1 0 0 0 0
23 25 2 0 0 0 0
23 45 1 0 0 0 0
24 26 2 0 0 0 0
24 46 1 0 0 0 0
25 26 1 0 0 0 0
25 47 1 0 0 0 0
27 48 1 0 0 0 0
27 49 1 0 0 0 0
27 50 1 0 0 0 0
M CHG 2 2 1 4 -1
M END
$$$$