IFLAB-ZINC04337074 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 52 0 0 1 0 0 0 0 0999 V2000 0.4600 1.0300 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 1.1160 2.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 3.1230 0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 3.6300 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 5.0510 -0.8000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 5.5780 -0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 4.9460 -0.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 7.0930 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 7.6980 -1.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5050 7.6290 -1.3590 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 9.0580 -1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9090 9.3710 -2.4770 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1420 10.4390 -2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0910 8.5380 -2.1720 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5220 7.9050 -3.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7740 8.6940 -4.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5510 9.0590 -3.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2200 9.0680 -1.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.1750 7.9980 -0.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4980 9.6400 0.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0680 10.3940 -1.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2210 10.1210 -2.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9060 11.1680 -3.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4490 12.4790 -3.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3130 12.7540 -2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6230 11.7100 -1.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2970 13.7670 -3.8410 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 -0.0570 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 1.4550 1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 1.2760 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 1.4930 2.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 0.0230 2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 1.4870 2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 3.5260 1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 3.4180 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 3.4630 -0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 3.1000 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 5.7200 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3100 7.0070 -1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9130 9.4670 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8100 9.5090 -1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1840 6.8630 -3.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5990 7.9140 -3.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5670 8.1110 -5.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3090 9.6090 -4.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5960 9.1050 -2.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7990 10.9560 -3.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9660 13.7770 -2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7500 11.9340 -1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 1.6050 0.8520 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5540 1.2390 0.1480 H 0 0 0 0 0 0 0 0 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 1 50 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 50 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 50 1 M END