B2IO8D
-OEChem-04022102322D
44 46 0 0 0 0 0 0 0999 V2000
7.7331 0.7906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 3.2906 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -4.2094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4081 3.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7901 3.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0991 4.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0991 4.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 2.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 1.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -3.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7181 3.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9745 4.1305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2237 4.1305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4801 3.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7056 4.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0343 5.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1639 5.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4927 4.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8112 1.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2097 2.3982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5210 2.3732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1225 1.6829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.4106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4040 -1.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -2.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -4.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -4.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.8994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 11 1 0 0 0 0
2 14 1 0 0 0 0
2 17 1 0 0 0 0
3 5 1 0 0 0 0
3 6 1 0 0 0 0
3 9 1 0 0 0 0
4 20 1 0 0 0 0
4 43 1 0 0 0 0
4 44 1 0 0 0 0
5 7 1 0 0 0 0
5 23 1 0 0 0 0
5 24 1 0 0 0 0
6 8 1 0 0 0 0
6 25 1 0 0 0 0
6 26 1 0 0 0 0
7 8 1 0 0 0 0
7 27 1 0 0 0 0
7 28 1 0 0 0 0
8 29 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 33 1 0 0 0 0
10 34 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
12 15 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 16 1 0 0 0 0
15 37 1 0 0 0 0
16 38 1 0 0 0 0
17 18 1 0 0 0 0
17 19 2 0 0 0 0
18 20 2 0 0 0 0
18 39 1 0 0 0 0
19 21 1 0 0 0 0
19 40 1 0 0 0 0
20 22 1 0 0 0 0
21 22 2 0 0 0 0
21 41 1 0 0 0 0
22 42 1 0 0 0 0
M END
$$$$