PUBCHEM-ZINC04313628 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 0.0580 1.4500 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 0.0710 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 -0.6780 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 -0.0470 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 1.3370 -0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 2.0870 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 3.4810 -0.1620 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 4.2720 0.1220 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5730 3.7050 0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 5.5790 0.8100 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4050 6.1490 1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 6.3970 -0.1370 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2910 5.8470 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 6.6380 -1.4450 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2540 7.1720 -2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 5.2900 -2.0470 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1020 4.7150 -2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 4.5670 -1.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 5.5240 -3.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 4.2690 -3.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 7.4150 -1.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 7.6500 0.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 5.2860 2.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 -0.8060 -0.5430 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -2.1550 0.1570 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0890 -2.7490 -0.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0320 -2.7760 0.6020 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8280 2.0330 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -0.4220 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.8300 -0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 3.9250 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 6.0210 -3.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 6.1510 -4.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 4.3410 -4.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 8.2820 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 7.5710 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 4.7650 2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -1.7710 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 -0.3670 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END