BF92CP
-OEChem-04012113382D
53 54 0 1 0 0 0 0 0999 V2000
8.0622 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2742 3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6728 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6728 4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2742 5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 5.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 5.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5422 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9407 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8535 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1541 -6.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7741 -4.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0 0 0 0
2 18 1 0 0 0 0
2 23 1 0 0 0 0
3 22 1 0 0 0 0
3 24 1 0 0 0 0
4 7 1 0 0 0 0
4 8 1 0 0 0 0
4 13 1 0 0 0 0
12 5 1 6 0 0 0
5 40 1 0 0 0 0
5 41 1 0 0 0 0
6 15 1 0 0 0 0
6 16 1 0 0 0 0
6 42 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 11 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 11 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 33 1 0 0 0 0
11 34 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
12 35 1 0 0 0 0
14 15 1 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
15 38 1 0 0 0 0
15 39 1 0 0 0 0
16 17 1 0 0 0 0
16 43 1 0 0 0 0
16 44 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
18 20 1 0 0 0 0
19 21 2 0 0 0 0
19 45 1 0 0 0 0
20 22 2 0 0 0 0
20 46 1 0 0 0 0
21 22 1 0 0 0 0
21 47 1 0 0 0 0
23 48 1 0 0 0 0
23 49 1 0 0 0 0
23 50 1 0 0 0 0
24 51 1 0 0 0 0
24 52 1 0 0 0 0
24 53 1 0 0 0 0
M END
$$$$