BFP0W4
-OEChem-04012113372D
46 47 0 1 0 0 0 0 0999 V2000
8.0622 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.0000 0.0000 N 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
6.3301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 4.5000 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
7.1962 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5000 0.0000 C 0 0 2 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 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
4.5981 -1.5000 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
3.7320 -3.0000 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
3.7320 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.5000 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
8.2742 2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6728 3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6728 4.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2742 5.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 5.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 4.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 5.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 5.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5422 -0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9407 0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8535 -0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 -0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 -1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 6 1 0 0 0 0
2 7 1 0 0 0 0
2 12 1 0 0 0 0
11 3 1 6 0 0 0
3 38 1 0 0 0 0
3 39 1 0 0 0 0
4 14 1 0 0 0 0
4 15 1 0 0 0 0
4 40 1 0 0 0 0
5 22 3 0 0 0 0
6 8 1 0 0 0 0
6 23 1 0 0 0 0
6 24 1 0 0 0 0
7 9 1 0 0 0 0
7 25 1 0 0 0 0
7 26 1 0 0 0 0
8 10 1 0 0 0 0
8 27 1 0 0 0 0
8 28 1 0 0 0 0
9 10 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 33 1 0 0 0 0
13 14 1 0 0 0 0
13 34 1 0 0 0 0
13 35 1 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
15 16 1 0 0 0 0
15 41 1 0 0 0 0
15 42 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
17 19 1 0 0 0 0
17 43 1 0 0 0 0
18 20 2 0 0 0 0
18 44 1 0 0 0 0
19 21 2 0 0 0 0
19 22 1 0 0 0 0
20 21 1 0 0 0 0
20 45 1 0 0 0 0
21 46 1 0 0 0 0
M END
$$$$