PUBCHEM-ZINC05797702 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -0.4060 1.6280 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 0.2580 0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -0.2190 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 -0.5680 -1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -0.1350 -2.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 -0.9660 -3.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 -2.2750 -3.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -2.7330 -2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -1.8940 -1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -3.1190 -4.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -4.0980 -4.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -4.8840 -6.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -4.6410 -6.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -5.8750 -6.4610 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -6.8570 -7.5430 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4760 -6.3750 -8.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -8.1300 -7.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 -7.9560 -6.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 -7.7920 -5.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1120 -7.6520 -5.8900 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8200 -7.5010 -5.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3600 -7.7470 -7.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 -7.9350 -7.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1020 -8.0550 -9.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 -7.9830 -9.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5130 -7.7940 -9.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5670 -7.6720 -7.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -7.3880 -8.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 -7.2410 -7.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 2.2150 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 1.6470 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 2.1420 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -1.0750 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 -0.5070 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 0.5500 1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 0.8730 -2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 -0.5670 -4.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 -3.7530 -2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -2.3180 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 -2.8950 -4.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -4.3420 -4.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 -5.9930 -5.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 -8.9530 -7.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -8.4740 -6.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 -7.7450 -4.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 -8.1980 -9.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2790 -8.0720 -11.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4330 -7.7370 -9.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5120 -7.5210 -7.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 -7.8920 -9.1980 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 14 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 15 17 1 0 0 0 0 15 28 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 M CHG 1 50 -1 M END