PUBCHEM-ZINC03872154 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 72 0 0 1 0 0 0 0 0999 V2000 1.9890 -1.8390 -3.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -1.1880 -3.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 0.0290 -4.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -2.1970 -3.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -0.8090 -1.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7670 -0.0690 -1.3090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -0.7300 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -2.1100 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 -2.7450 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7370 -2.0100 1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4760 -0.6580 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 -0.0190 0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0580 1.4090 0.9930 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7090 1.6870 1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4020 2.3680 -0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 1.9340 -1.3690 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0350 1.1890 -1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8900 1.2910 -1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 1.9400 -2.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4880 3.1490 -2.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9610 3.3680 -2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8390 2.5750 -2.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1860 4.5330 -3.2680 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5130 5.0180 -3.7100 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2350 4.7730 -2.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8760 4.3670 -5.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3520 4.4830 -5.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1870 4.1900 -4.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4460 6.5650 -3.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2960 6.9900 -4.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 1.6240 1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 2.6520 1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 2.8640 1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 2.0690 2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 1.0830 3.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 0.8610 2.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 -0.1010 3.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -0.8410 4.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -0.6340 4.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 0.3290 4.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.7790 1.9240 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -1.2030 -3.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -2.8140 -3.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0010 -2.0140 -4.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -0.2820 -5.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 0.5830 -3.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 0.7130 -4.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -3.1050 -3.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 -1.7650 -3.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -2.5000 -4.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -0.1860 -1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 -1.7030 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 -2.7290 -1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1260 -3.8070 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0790 -0.1010 1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9960 3.0100 -3.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0860 4.0590 -1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4330 5.1710 -3.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6560 3.2920 -5.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2550 4.7790 -5.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 3.3060 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 3.6470 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 2.2470 2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -0.2820 3.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -1.5720 4.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 -1.2050 5.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 0.4940 4.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5620 4.7860 -6.6410 O 0 5 0 0 0 0 0 0 0 0 0 0 7.4930 7.2180 -3.6450 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 45 1 0 0 0 0 3 46 1 0 0 0 0 3 47 1 0 0 0 0 4 48 1 0 0 0 0 4 49 1 0 0 0 0 4 50 1 0 0 0 0 5 6 1 0 0 0 0 5 51 1 0 0 0 0 5 52 1 0 0 0 0 6 7 1 0 0 0 0 6 18 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 53 1 0 0 0 0 9 10 1 0 0 0 0 9 54 1 0 0 0 0 10 11 2 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 55 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 0 0 0 0 26 27 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 28 2 0 0 0 0 27 68 1 0 0 0 0 29 30 2 0 0 0 0 29 69 1 0 0 0 0 31 32 2 0 0 0 0 31 36 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 33 34 2 0 0 0 0 33 62 1 0 0 0 0 34 35 1 0 0 0 0 34 63 1 0 0 0 0 35 36 1 0 0 0 0 35 40 2 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 37 64 1 0 0 0 0 38 39 2 0 0 0 0 38 65 1 0 0 0 0 39 40 1 0 0 0 0 39 66 1 0 0 0 0 40 67 1 0 0 0 0 M CHG 1 68 -1 M CHG 1 69 -1 M END