IBS-ZINC04812555 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 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 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -0.7010 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -2.1450 -0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -0.7120 -2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -0.4980 -2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -0.7290 -3.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -1.1800 -4.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -1.3950 -4.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -1.1550 -3.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -1.8330 -5.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -1.4280 -5.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -1.8470 -6.9920 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -2.0830 -8.1630 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 -2.5180 -9.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -2.7050 -9.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -2.7680 -10.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 -3.2170 -11.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 -3.4460 -12.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9810 -3.2190 -12.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5660 -2.7720 -11.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8430 -2.5670 -10.5190 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8080 -3.4500 -13.9780 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2880 -3.8430 -15.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0090 -3.2480 -13.9410 O 0 5 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 -0.5230 -2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -0.0180 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -2.8280 -1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4980 -2.3120 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -2.3230 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9150 -0.1500 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 -0.5620 -3.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 -1.3160 -3.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -1.1240 -6.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3240 -1.2620 -5.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 -1.9340 -8.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -3.3840 -11.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -3.7950 -13.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6310 -2.5930 -11.5680 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 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 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 12 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END