PUBCHEM-ZINC04825220 MOE2007 3D CORINA 3.40 0006 02.08.2006 78 82 0 0 1 0 0 0 0 0999 V2000 -0.7680 2.1740 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 0.6830 0.8890 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3020 0.5100 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 0.0870 2.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 -0.6130 2.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 0.4130 2.6200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 -0.0420 3.8760 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1500 0.2870 4.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0410 -1.5760 3.8900 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4410 -2.0890 3.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 -1.8450 3.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0030 -0.5720 3.1780 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7580 -0.4670 2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 0.5370 3.9650 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3350 1.4590 3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 0.5890 5.2420 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4450 -0.6110 3.2440 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2260 -1.1830 4.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5130 -1.0590 3.9440 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5600 -0.3510 2.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2820 -0.0650 2.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9420 0.5980 1.1910 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0370 0.9870 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3370 0.7860 0.8290 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6300 0.1050 1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9530 -0.1110 2.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 -2.2070 5.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9710 -3.6210 5.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 -3.7140 4.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 -0.0490 0.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 -0.0080 -0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 0.6440 -1.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4930 -0.8170 -0.9510 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3530 -1.7780 -0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6480 -0.0190 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8460 -0.8730 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8570 -1.6500 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9550 -2.4560 1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0500 -2.4930 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0500 -1.7230 -0.5400 C 0 0 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0 2.4300 -1.8290 6.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -2.0360 5.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 -0.6200 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 0.4740 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 0.8000 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0090 -1.6350 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9520 -3.0580 2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9030 -3.1240 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9030 -1.7560 -1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9640 -0.3260 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 -0.3530 -3.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2310 -4.1730 -4.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8800 -3.5090 -4.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1140 -4.2260 -6.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1590 -3.7890 -9.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9390 -2.3680 -10.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6820 -1.3790 -8.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6520 -1.8050 -6.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 53 1 0 0 0 0 1 54 1 0 0 0 0 1 55 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 4 5 2 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0 47 48 1 0 0 0 0 47 52 2 0 0 0 0 48 49 2 0 0 0 0 48 74 1 0 0 0 0 49 50 1 0 0 0 0 49 75 1 0 0 0 0 50 51 2 0 0 0 0 50 76 1 0 0 0 0 51 52 1 0 0 0 0 51 77 1 0 0 0 0 52 78 1 0 0 0 0 M CHG 1 16 -1 M END