B4ET1D
-OEChem-04012115562D
43 44 0 0 0 0 0 0 0999 V2000
6.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 -0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 -1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 -3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 -2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9501 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7101 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0 0 0 0
2 21 1 0 0 0 0
2 43 1 0 0 0 0
3 6 2 0 0 0 0
4 10 1 0 0 0 0
4 11 1 0 0 0 0
4 12 1 0 0 0 0
5 7 1 0 0 0 0
5 14 1 0 0 0 0
5 34 1 0 0 0 0
6 17 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 23 1 0 0 0 0
8 10 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
9 11 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
10 28 1 0 0 0 0
10 29 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 13 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
13 15 2 0 0 0 0
13 16 1 0 0 0 0
14 17 1 0 0 0 0
15 18 1 0 0 0 0
15 35 1 0 0 0 0
16 19 2 0 0 0 0
16 36 1 0 0 0 0
17 21 2 0 0 0 0
18 20 2 0 0 0 0
18 37 1 0 0 0 0
19 20 1 0 0 0 0
19 38 1 0 0 0 0
20 39 1 0 0 0 0
21 22 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
M END
$$$$