BI89DX
-OEChem-04022102182D
50 52 0 0 0 0 0 0 0999 V2000
4.5981 -0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.5000 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
8.0622 -3.5000 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
7.1962 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.0000 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
2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4516 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8501 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0063 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4048 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1403 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5388 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8501 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4516 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4048 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0063 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8501 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4516 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9841 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5856 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 -2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 -2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
2 9 1 0 0 0 0
2 10 1 0 0 0 0
3 14 1 0 0 0 0
3 18 1 0 0 0 0
4 6 1 0 0 0 0
4 7 1 0 0 0 0
4 8 1 0 0 0 0
5 11 1 0 0 0 0
5 12 1 0 0 0 0
5 38 1 0 0 0 0
6 9 1 0 0 0 0
6 26 1 0 0 0 0
6 27 1 0 0 0 0
7 10 1 0 0 0 0
7 28 1 0 0 0 0
7 29 1 0 0 0 0
8 11 1 0 0 0 0
8 30 1 0 0 0 0
8 31 1 0 0 0 0
9 32 1 0 0 0 0
9 33 1 0 0 0 0
10 34 1 0 0 0 0
10 35 1 0 0 0 0
11 36 1 0 0 0 0
11 37 1 0 0 0 0
12 13 1 0 0 0 0
12 39 1 0 0 0 0
12 40 1 0 0 0 0
13 14 1 0 0 0 0
13 15 2 0 0 0 0
14 16 2 0 0 0 0
15 17 1 0 0 0 0
15 41 1 0 0 0 0
16 19 1 0 0 0 0
16 42 1 0 0 0 0
17 19 2 0 0 0 0
17 43 1 0 0 0 0
18 20 1 0 0 0 0
18 44 1 0 0 0 0
18 45 1 0 0 0 0
19 46 1 0 0 0 0
20 21 1 0 0 0 0
20 22 2 0 0 0 0
21 23 2 0 0 0 0
22 24 1 0 0 0 0
22 47 1 0 0 0 0
23 25 1 0 0 0 0
23 48 1 0 0 0 0
24 25 2 0 0 0 0
24 49 1 0 0 0 0
25 50 1 0 0 0 0
M END
$$$$