IBS-ZINC04137409 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.5240 1.3130 0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 2.0000 2.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 3.4880 1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 3.5650 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 4.9250 -0.2440 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 5.9170 -0.9920 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1730 5.8200 -0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 7.2850 -0.5930 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1530 6.8870 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 5.4220 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0310 4.8490 0.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0890 7.6320 0.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 7.9100 0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 7.2290 1.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 9.3650 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 10.2670 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 11.6300 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 12.0920 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 11.1930 0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 9.8300 0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 11.5120 1.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 12.8850 1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 5.7070 -2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 6.1030 -3.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 5.9460 -4.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 5.3950 -5.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 5.0080 -4.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3820 5.1650 -3.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 4.3290 -5.3260 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 0.3080 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 1.8570 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 1.2410 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 2.5270 2.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 0.9500 3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 2.4740 3.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 4.0030 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 3.9490 2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 3.2300 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 2.9220 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 7.9430 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 9.9470 -0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0560 12.3400 -0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 13.1590 0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 9.1340 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 12.9680 1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 13.2710 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 13.4820 2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 6.5400 -2.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 6.2570 -5.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 5.2740 -6.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 4.8560 -2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 2.0550 1.6180 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2090 1.5560 1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 52 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END