PUBCHEM-ZINC03204389 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 1 0 0 0 0 0999 V2000 -0.5390 1.7390 -0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 0.2280 -0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -0.4130 -0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 0.2760 -0.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 -1.7520 -0.3970 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 -2.5990 -0.4810 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7140 -3.3560 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 -3.2830 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6680 -3.8230 1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8980 -4.8230 2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -5.5680 3.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 -6.4460 4.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 -6.5950 4.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8650 -5.8710 3.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3060 -4.9710 2.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8650 -4.1170 1.5820 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8170 -4.0100 1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 -3.4370 0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0730 -2.4030 -0.1630 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4140 -2.8880 -1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0850 -1.3800 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 -0.6320 1.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7850 0.3060 1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9420 0.4980 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1700 -0.2490 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2400 -1.1840 -0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4100 -0.0440 -0.8230 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.2280 0.7830 -0.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6110 -0.7020 -1.8280 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6230 -1.7480 -0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 -1.2980 0.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 2.2020 -1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 1.9370 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 2.1530 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -0.1860 -1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 0.0290 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -4.1020 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.5580 1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -5.4590 3.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 -7.0390 4.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 -7.3020 4.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9350 -5.9970 3.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 -0.7820 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6060 0.8900 2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6680 1.2310 1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4160 -1.7650 -1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -1.4900 -2.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 -0.9400 -2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 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 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 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 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 31 2 0 0 0 0 30 47 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END