IBS-ZINC04834588 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 0.0080 1.3930 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -0.0060 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -0.6520 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 0.0510 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 1.4590 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 2.1100 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 3.8340 0.0220 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4780 -0.9290 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9130 -2.1730 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 -2.0020 -0.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -2.7500 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 -3.3860 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -4.5010 -0.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0410 -3.1420 -0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5390 -1.8410 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8600 -0.7340 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9680 -4.2740 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3380 -4.7370 -1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2530 -6.4910 -2.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1460 -7.7380 -2.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5200 -6.8440 -1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5920 -5.6180 -0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 1.9200 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -0.5640 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3720 2.0160 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6400 -1.7890 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8640 -3.9660 0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5050 -5.1020 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -4.9810 -1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7870 -3.9060 -1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6030 -5.7370 -3.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2390 -6.7820 -3.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7740 -8.5590 -2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2420 -8.0790 -3.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5530 -6.5750 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1870 -7.6420 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5720 -5.2800 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0260 -4.8070 -1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2230 -5.9230 -1.4340 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5290 -7.4100 -2.4210 N 0 3 0 0 0 0 0 0 0 0 0 0 10.1160 -8.2550 -2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9620 -6.7330 -3.0630 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 39 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 40 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 M CHG 1 40 1 M END