PUBCHEM-ZINC04459547 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.4810 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -0.0250 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -0.8300 1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.1900 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -2.0080 -0.7810 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -0.8390 -1.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -3.4800 1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -3.7060 2.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 -4.9090 2.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -5.8900 2.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -5.6730 1.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -4.4750 0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 -4.2050 -0.3640 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 -0.4360 2.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -0.2050 3.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -0.3320 3.2280 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -0.0690 4.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 -0.0730 5.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1010 0.1890 6.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 0.4490 7.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 0.4370 6.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 0.1880 5.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 0.7350 8.7100 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7180 0.7430 9.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 0.9620 9.1910 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0070 1.8650 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 1.8220 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 1.8470 0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -2.9420 2.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 -5.0850 3.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -6.8300 3.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -6.4420 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 -0.4400 2.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1280 -0.2800 4.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 0.1920 7.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 0.6380 6.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END