PUBCHEM-ZINC00994637 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 0 0 0 0 0 0999 V2000 -0.0490 1.3590 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -0.0180 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -0.6840 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 0.0350 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 1.4130 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 2.0860 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 3.5630 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 4.3760 -0.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 4.0880 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 5.6800 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 6.9180 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 8.0690 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 7.9970 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 6.7880 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 5.6070 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 4.2930 0.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 9.2440 0.2290 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0080 10.3260 0.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 9.1880 0.3330 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2280 -2.0420 -0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -2.6520 -1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -1.9970 -2.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -4.1540 -1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -4.5890 -2.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -6.1130 -2.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -6.5760 -1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -6.1410 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -4.6160 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 1.8760 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -0.5810 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -0.4860 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 1.9710 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 6.9800 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 9.0330 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 6.7440 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -4.6010 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -4.1420 -2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -4.2590 -3.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 -6.4230 -3.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -6.5600 -2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -6.1290 -1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -7.6620 -1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -6.4700 0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -6.5880 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -4.3070 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 -4.1690 -0.1020 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 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 28 1 0 0 0 0 23 36 1 0 0 0 0 24 25 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END