B2QX6B
-OEChem-04022102102D
40 42 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
10.6603 -2.0000 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
10.6603 -1.0000 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
9.7942 -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
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
5.4641 1.0000 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 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
10.8723 -2.5826 0.0000 H 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
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
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
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
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
8.4607 -0.0251 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
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
5.4641 1.6200 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 8 1 0 0 0 0
1 9 1 0 0 0 0
1 10 1 0 0 0 0
2 10 1 0 0 0 0
2 11 1 0 0 0 0
2 33 1 0 0 0 0
3 11 1 0 0 0 0
3 13 2 0 0 0 0
4 11 2 0 0 0 0
4 14 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 21 1 0 0 0 0
5 22 1 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 31 1 0 0 0 0
10 32 1 0 0 0 0
12 13 1 0 0 0 0
12 14 2 0 0 0 0
12 15 1 0 0 0 0
13 34 1 0 0 0 0
14 35 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 36 1 0 0 0 0
17 19 2 0 0 0 0
17 37 1 0 0 0 0
18 20 2 0 0 0 0
18 38 1 0 0 0 0
19 20 1 0 0 0 0
19 39 1 0 0 0 0
20 40 1 0 0 0 0
M END
$$$$