BU9K3G
-OEChem-04022109132D
45 46 0 1 0 0 0 0 0999 V2000
2.0000 -0.5950 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -5.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7320 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 5.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 5.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5560 -3.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1760 -4.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 4.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 3.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5062 4.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8862 5.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7741 5.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1541 4.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -5.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
2 20 1 0 0 0 0
2 25 1 0 0 0 0
3 18 1 0 0 0 0
3 45 1 0 0 0 0
4 18 2 0 0 0 0
5 25 2 0 0 0 0
6 16 1 0 0 0 0
6 25 1 0 0 0 0
6 36 1 0 0 0 0
7 8 1 0 0 0 0
7 15 1 0 0 0 0
7 18 1 0 0 0 0
7 26 1 0 0 0 0
8 10 2 0 0 0 0
8 11 1 0 0 0 0
9 12 1 0 0 0 0
9 13 2 0 0 0 0
9 14 1 0 0 0 0
10 13 1 0 0 0 0
10 27 1 0 0 0 0
11 14 2 0 0 0 0
11 28 1 0 0 0 0
12 17 2 0 0 0 0
12 19 1 0 0 0 0
14 29 1 0 0 0 0
15 30 1 0 0 0 0
15 31 1 0 0 0 0
15 32 1 0 0 0 0
16 21 1 0 0 0 0
16 22 1 0 0 0 0
16 33 1 0 0 0 0
17 20 1 0 0 0 0
17 34 1 0 0 0 0
19 23 2 0 0 0 0
19 35 1 0 0 0 0
20 24 2 0 0 0 0
21 37 1 0 0 0 0
21 38 1 0 0 0 0
21 39 1 0 0 0 0
22 40 1 0 0 0 0
22 41 1 0 0 0 0
22 42 1 0 0 0 0
23 24 1 0 0 0 0
23 43 1 0 0 0 0
24 44 1 0 0 0 0
M END
$$$$