BC0GP5
-OEChem-04012117292D
42 44 0 0 0 0 0 0 0999 V2000
10.6603 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -1.0000 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
8.0622 -0.5000 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
6.3301 -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
6.3301 0.5000 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
5.4641 -2.0000 0.0000 C 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
4.5981 -2.5000 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
3.7320 -2.0000 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
2.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1928 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3957 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3176 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7162 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2708 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8723 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3957 -2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1928 -2.9750 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
5.7932 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3722 1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7522 3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 9 1 0 0 0 0
2 13 1 0 0 0 0
2 21 1 0 0 0 0
3 20 1 0 0 0 0
3 22 1 0 0 0 0
4 6 1 0 0 0 0
4 7 1 0 0 0 0
4 10 1 0 0 0 0
5 10 1 0 0 0 0
5 12 2 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 27 1 0 0 0 0
8 28 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 11 2 0 0 0 0
11 13 1 0 0 0 0
11 31 1 0 0 0 0
12 14 1 0 0 0 0
12 15 1 0 0 0 0
13 14 2 0 0 0 0
14 32 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
16 18 1 0 0 0 0
16 33 1 0 0 0 0
17 19 2 0 0 0 0
17 34 1 0 0 0 0
18 20 2 0 0 0 0
18 35 1 0 0 0 0
19 20 1 0 0 0 0
19 36 1 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
M END
$$$$