IFLAB-ZINC04249034 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0110 1.3600 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.0100 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -0.6780 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 0.0400 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 1.4150 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 2.0730 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 2.1410 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7020 1.5870 -0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6530 0.4980 -1.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0150 2.3210 -0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0450 1.5350 -1.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 2.0560 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3470 1.3460 -1.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6220 1.8780 -1.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8550 3.1180 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8120 3.8280 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5340 3.3010 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4580 3.7840 -1.0360 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -2.1500 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -2.9740 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -4.2680 0.5280 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 -4.1680 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 -2.9060 0.6150 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -5.7700 1.0220 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -6.6830 0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -5.6030 0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 1.8750 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -0.5650 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 -0.4730 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 3.1440 -0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6070 3.0430 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9360 3.2760 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2590 2.4960 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1660 0.3780 -2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4380 1.3250 -2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9950 4.7950 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7200 3.8570 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 -2.6830 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 -7.4020 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 -7.1860 1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -5.6160 1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -5.8290 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 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 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END