IFLAB-ZINC04139678 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.1860 1.7880 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 0.3320 0.0550 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8720 0.3260 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 -0.3860 0.2480 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6380 -0.1910 -0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 -1.9010 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -2.8300 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -4.1720 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -4.2300 1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -2.6770 1.6260 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 0.6610 2.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 0.9660 3.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1920 1.9270 3.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 1.4400 2.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 1.1470 0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -0.3490 -0.9440 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 -0.8840 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8710 -0.8240 0.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0170 -1.4590 -1.7260 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2820 -2.0860 -1.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1400 -2.2220 -0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3830 -2.8510 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7740 -3.3470 -2.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9320 -3.2210 -3.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 -2.5920 -3.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3020 -4.1190 -2.2440 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.2290 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 1.8590 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 2.4110 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 -2.5670 -1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 -5.0510 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -5.1130 1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 1.5720 2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -0.1060 2.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 0.0580 4.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 1.3910 4.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4880 0.5470 2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 2.2110 1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5430 0.6990 0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 2.0520 0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -0.4180 -1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 -1.4300 -2.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -1.8480 0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0370 -2.9460 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2320 -3.6060 -4.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0520 -2.5050 -3.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 0.1540 1.3980 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4430 -0.6770 1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 47 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 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 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END