PUBCHEM-ZINC02982753 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 1.6160 1.4400 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -0.0210 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 -0.4800 0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -1.8430 0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -2.7590 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 -2.3140 -1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 -0.9490 -1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -4.1990 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -4.6290 1.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -4.9100 -0.9050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -6.2610 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -6.8330 -2.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -8.2490 -2.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 -8.6490 -2.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 -9.9970 -2.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -10.9450 -2.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -10.5580 -2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 -9.2090 -2.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 -12.6060 -2.9430 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -7.1140 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -7.2800 0.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 -7.7090 0.4460 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -8.6620 1.5120 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6340 -9.3560 1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 -7.9420 2.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7640 -9.4710 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3430 -9.1040 0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5650 1.6840 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 1.7110 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 2.0530 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 0.2220 1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -2.1900 1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -3.0110 -1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -0.6130 -2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -4.4010 -1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 -6.2430 -3.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 -7.9160 -2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 -10.2980 -2.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -11.2940 -2.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -8.9220 -2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 -7.5400 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -7.3590 3.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -8.6490 3.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 -7.2490 2.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 -10.3950 1.9790 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 M CHG 1 45 -1 M END