PUBCHEM-ZINC04794560 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 -0.9640 1.0050 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -0.2930 -0.1390 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9060 -1.0780 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -0.0180 1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -0.1570 0.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -0.7670 -1.3550 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -1.2670 -2.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -1.4120 -2.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -1.6760 -3.6080 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6550 -0.9880 -3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -3.1210 -3.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -3.5820 -4.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8840 -5.2680 -4.0670 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9760 -5.4860 -5.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -1.5280 -4.8410 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 -1.2170 -6.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -1.0300 -6.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -1.1600 -6.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.8510 -8.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -0.8390 -9.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 0.3700 -9.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9620 0.3740 -10.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 -0.8290 -10.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 -2.0370 -10.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 -2.0430 -9.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 1.8020 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 0.8800 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 1.3510 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 -0.6980 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -3.1910 -2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 -3.7950 -3.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 -3.6070 -5.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -2.9030 -4.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4420 -6.4740 -5.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4050 -5.4200 -6.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7640 -4.7290 -5.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 -1.6510 -4.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 0.1280 -8.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -1.6080 -8.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 1.3160 -9.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4350 1.3140 -10.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3810 -0.8250 -11.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 -2.9750 -10.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 -2.9930 -9.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 0.2940 2.1310 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 45 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 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 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 M CHG 1 45 -1 M END