PUBCHEM-ZINC03082346 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 0 0 0 0 0 0999 V2000 -0.0270 1.4720 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 0.0430 0.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -0.5550 1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 -2.0790 1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 -2.7190 2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 -4.1780 2.1980 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9670 -4.9560 3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5720 -4.4470 4.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 -6.4260 2.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 -7.2340 3.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 -8.6050 3.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 -9.1840 2.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 -8.3830 1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -7.0120 1.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 -10.5360 2.6440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 -11.2260 3.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -12.6140 3.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -13.3130 4.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -12.6320 5.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -11.2500 5.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -10.5450 4.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -10.5240 6.5300 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8000 -11.1450 7.3730 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -9.3060 6.5320 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3740 -14.7930 4.5440 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0150 -15.3940 3.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -15.4110 5.3880 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9980 1.8390 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 1.8480 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 1.8180 1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 -0.2300 1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -0.2510 2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -2.4040 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -2.3820 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 -2.3940 2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -2.4150 3.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 -4.5830 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0840 -6.7850 4.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 -9.2300 4.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -8.8370 0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -6.3900 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -13.1460 2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -13.1810 6.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -9.4650 4.5560 H 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 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 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 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 19 20 2 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M CHG 1 25 1 M CHG 1 27 -1 M END