IBS-ZINC05456628 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 0.0090 1.4550 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -0.0500 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 -0.5390 -0.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 -0.5500 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 -0.1040 -2.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 -0.1260 -3.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6950 -0.5900 -3.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2360 -1.0320 -2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4670 -1.0190 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0160 -1.4880 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2100 -1.4480 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8950 -0.9740 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 -0.9520 2.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7270 -1.9100 2.5240 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.8320 -2.4180 2.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 -1.7840 3.5260 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.3110 -1.9560 0.1950 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7150 -3.1360 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2190 -3.3600 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6410 -4.5940 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0820 -4.8080 -1.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.0710 -4.2910 -1.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2410 -4.7370 -1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9740 -5.5060 -0.2850 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6820 -5.5580 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 1.8190 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 1.9690 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 1.6500 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -0.2450 -1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -0.5640 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 0.2590 -2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 0.2200 -4.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2900 -0.6000 -4.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2540 -1.3910 -2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9540 -1.5030 0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4830 -2.9820 -1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1750 -4.0100 -0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4510 -3.5150 0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7590 -2.4870 -0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4090 -4.4390 -2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1020 -5.4670 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9390 -3.6470 -2.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2220 -4.5150 -1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1770 -6.1080 0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 25 44 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END