IBS-ZINC05072074 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 -0.2330 2.6970 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 1.3210 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 0.6770 -1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.7060 -1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1920 0.1030 -2.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4140 0.1580 -2.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 -0.5300 -3.4610 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -0.6090 -3.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 -0.0190 -2.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -0.1230 -2.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 -0.7840 -3.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -1.3590 -4.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -1.2960 -4.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -1.8650 -5.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -4.3000 -5.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -5.5370 -5.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -5.9580 -7.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -4.8150 -8.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -3.5230 -7.6510 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3230 -3.6910 -7.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -2.3670 -8.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 -2.6980 -10.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -2.0190 -5.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4030 -0.8870 -3.5740 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 3.3790 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 2.6500 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 3.1320 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 1.4370 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 0.6690 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9760 1.1960 -0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 0.3120 -1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -1.1070 -6.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -2.0760 -5.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -3.9840 -4.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -4.4760 -5.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -6.3550 -5.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 -5.3410 -5.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -6.2710 -7.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -6.8240 -7.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -5.1550 -9.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 -4.6150 -8.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -2.0400 -8.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 -1.5070 -8.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 -3.1010 -10.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -3.4210 -10.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -1.7930 -10.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -1.9070 -5.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -3.1660 -6.2380 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2650 -2.9870 -6.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 48 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END