PUBCHEM-ZINC03631974 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 1.0150 0.2960 0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 0.7160 2.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 1.3820 3.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 3.1020 1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 2.3910 0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 3.6080 4.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 5.0830 4.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 6.0000 4.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 7.3700 4.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 7.8180 4.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 6.9200 4.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 5.5660 4.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 4.6690 4.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7120 8.2200 4.6880 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6990 9.5840 4.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7190 10.2820 5.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0340 10.2330 4.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2580 11.2380 5.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4990 11.8770 5.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5070 11.5180 5.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2830 10.5300 4.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0430 9.8870 4.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0340 12.3070 5.1630 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 -0.7840 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 0.6900 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 0.4290 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 1.0910 3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -0.3610 2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 0.9600 3.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 1.2780 4.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 4.1810 1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 2.7230 1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 2.5400 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 2.8650 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0360 3.1620 5.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 3.4250 3.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8540 5.6360 4.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 8.8670 4.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 7.3050 4.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 5.1500 4.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6150 7.7680 4.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4720 11.5280 6.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6670 12.6520 6.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0660 10.2650 3.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8800 9.1480 3.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 0.9480 1.2890 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 2.8610 3.2520 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1420 3.2830 3.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 46 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 46 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 47 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 47 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 46 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 6 47 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 37 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 17 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 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 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 44 1 0 0 0 0 22 45 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END