LEF0M3
-OEChem-05022322082D
27 26 0 1 0 0 0 0 0999 V2000
3.4030 -0.4050 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9030 0.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9030 -1.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2690 0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0010 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3996 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6025 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5150 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7550 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4685 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2656 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0431 -0.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2700 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4231 0.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2830 0.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 4 2 0 0 0 0
1 7 1 0 0 0 0
2 26 1 0 0 0 0
3 27 1 0 0 0 0
7 5 1 1 0 0 0
5 21 1 0 0 0 0
5 22 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 9 1 6 0 0 0
6 12 1 0 0 0 0
7 13 1 0 0 0 0
8 10 1 0 0 0 0
8 14 1 0 0 0 0
8 15 1 0 0 0 0
9 16 1 0 0 0 0
9 17 1 0 0 0 0
9 18 1 0 0 0 0
10 11 1 0 0 0 0
10 19 1 0 0 0 0
10 20 1 0 0 0 0
11 23 1 0 0 0 0
11 24 1 0 0 0 0
11 25 1 0 0 0 0
M END
$$$$