B71QRA
-OEChem-04022102102D
39 41 0 0 0 0 0 0 0999 V2000
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
5.4641 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.5000 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
10.6603 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
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
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
4.5981 -0.5000 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
3.7320 -1.0000 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
3.7320 -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
2.8660 -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
11.2708 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8723 2.5826 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
11.2708 1.1077 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
9.3957 2.9750 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
10.1928 0.0251 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
8.3176 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6636 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4607 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 0.8100 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
4.2690 -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
2.8660 -3.1200 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 9 1 0 0 0 0
1 10 1 0 0 0 0
1 11 1 0 0 0 0
2 11 1 0 0 0 0
2 12 1 0 0 0 0
2 33 1 0 0 0 0
3 12 2 0 0 0 0
3 14 1 0 0 0 0
4 5 2 0 0 0 0
4 12 1 0 0 0 0
5 13 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 21 1 0 0 0 0
6 22 1 0 0 0 0
7 9 1 0 0 0 0
7 23 1 0 0 0 0
7 24 1 0 0 0 0
8 10 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 31 1 0 0 0 0
11 32 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
14 34 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 35 1 0 0 0 0
17 19 2 0 0 0 0
17 36 1 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
M END
$$$$