IFLAB-ZINC04280360 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8440 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -2.5710 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 -2.3760 0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9560 -3.8330 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6240 -4.2450 1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7840 -3.3040 1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9230 -2.1000 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3760 -1.3000 1.6180 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.7920 -2.6080 2.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8650 -3.6070 2.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9520 -4.8330 3.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0210 -5.8050 3.8470 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9170 -2.6520 3.4360 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7720 -1.6100 3.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5570 -0.6320 2.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9700 -1.6570 4.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8580 -0.5790 4.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9750 -0.6290 5.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2180 -1.7460 5.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3410 -2.8180 5.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2230 -2.7820 5.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6270 -1.8010 6.9510 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.9510 -1.5170 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -4.1110 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -4.3330 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9970 -5.2660 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 -4.1870 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0890 -3.4320 3.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6700 0.2920 3.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6620 0.2040 5.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5350 -3.6850 6.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5430 -3.6200 5.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6740 -0.5060 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4120 -1.4990 -0.9500 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 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 3 0 0 0 0 16 17 1 0 0 0 0 16 36 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 24 2 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END