IBS-ZINC04603808 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 0 0 0 0 0 0999 V2000 -0.7500 -0.1580 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 0.7700 -1.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 0.6160 -2.6890 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 1.3580 -3.8460 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 0.6810 -5.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 -0.5380 -5.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 1.5900 -6.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 2.1490 -6.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 1.5490 -7.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 2.3910 -7.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5880 3.6090 -6.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 3.7310 -6.1800 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 1.6270 -1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 1.8130 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 1.8000 0.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3230 1.9810 -0.5210 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2880 2.1530 0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5130 0.8570 1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2890 -0.1210 3.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1160 0.1570 4.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4690 0.4730 4.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5410 1.6510 3.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7880 1.4610 2.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 -0.4110 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 -1.1130 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 0.2930 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 2.3680 -3.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 1.0030 -7.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 2.3790 -6.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 0.5470 -7.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6280 2.1180 -8.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 4.4340 -6.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 2.2380 -2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -0.1260 -2.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6430 1.9840 -1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 2.9470 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2170 2.4950 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0270 0.1010 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 0.4350 1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2400 -0.3020 3.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6970 -0.9640 2.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1330 -0.7340 5.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6870 0.9770 5.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5980 1.8490 3.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1460 2.5040 4.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2120 0.6370 1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7940 2.3850 1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3390 1.0950 2.5850 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.9050 1.8750 3.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 13 2 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END