PUBCHEM-ZINC01009573 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -1.2020 -0.4180 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 0.1480 0.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 -0.4900 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 0.0060 1.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -0.6420 2.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -1.7900 3.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -2.2860 2.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -1.6340 1.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 -2.4480 4.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2020 -1.7400 5.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 -0.5270 5.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9770 -2.4540 6.2440 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4640 -3.3790 6.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3600 -2.7730 5.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2970 -1.7640 5.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5660 -2.0570 5.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8990 -3.3570 4.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9630 -4.3660 4.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6950 -4.0740 5.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3190 -5.7580 4.5930 N 0 3 0 0 0 0 0 0 0 0 0 0 8.4370 -6.0150 4.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4940 -6.6460 4.7110 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9210 -2.2100 8.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1180 -1.2260 9.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7540 -0.8570 10.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -0.2610 9.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7430 -1.2730 7.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 -0.4390 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 0.1870 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -1.4340 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 0.8990 1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 -0.2560 3.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -3.1780 3.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -2.0170 1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 -3.4130 4.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 -0.7480 5.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2980 -1.2690 5.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8910 -3.5860 4.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9640 -4.8620 5.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8890 -2.4640 8.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4400 -3.1140 8.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7330 -1.6900 10.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6120 -0.3270 9.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 -1.7500 10.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8860 -0.1240 11.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 -0.0360 9.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 0.6530 8.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 -2.1820 8.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 -0.8460 7.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0740 -1.5930 7.4300 N 0 0 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 3 4 1 0 0 0 0 3 8 2 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 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 50 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END