B97LIZ
-OEChem-04022101062D
39 39 0 1 0 0 0 0 0999 V2000
3.7320 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7320 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 2.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 2.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 -0.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 -0.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 -1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 -1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4607 -0.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6636 -0.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5297 -1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3267 -1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 0.0250 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 8 1 0 0 0 0
2 12 1 0 0 0 0
11 3 1 6 0 0 0
3 34 1 0 0 0 0
3 35 1 0 0 0 0
4 17 1 0 0 0 0
4 38 1 0 0 0 0
4 39 1 0 0 0 0
5 16 3 0 0 0 0
6 7 1 0 0 0 0
6 16 1 6 0 0 0
6 18 1 0 0 0 0
7 9 1 0 0 0 0
7 19 1 0 0 0 0
7 20 1 0 0 0 0
8 10 1 0 0 0 0
8 21 1 0 0 0 0
8 22 1 0 0 0 0
9 10 1 0 0 0 0
9 23 1 0 0 0 0
9 24 1 0 0 0 0
10 25 1 0 0 0 0
10 26 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 27 1 0 0 0 0
13 14 1 0 0 0 0
13 28 1 0 0 0 0
13 29 1 0 0 0 0
14 15 1 0 0 0 0
14 30 1 0 0 0 0
14 31 1 0 0 0 0
15 17 1 0 0 0 0
15 32 1 0 0 0 0
15 33 1 0 0 0 0
17 36 1 0 0 0 0
17 37 1 0 0 0 0
M END
$$$$