IBS-ZINC02242232 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 51 0 0 0 0 0 0 0 0999 V2000 0.2100 1.4350 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -0.0960 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -0.6950 0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -2.1520 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 -2.6620 0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -4.0090 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -4.7710 1.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -6.1050 2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 -6.1970 2.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 -7.3950 3.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 -8.4480 3.2020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -8.2740 2.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 -7.1520 2.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 -7.5830 3.9270 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6800 -8.9630 4.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5490 -9.1510 5.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9510 -6.7210 5.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0650 -6.4510 4.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -4.9920 2.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -4.1360 2.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6190 -2.8590 1.8410 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 -1.8070 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 -0.4120 0.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -0.5560 -1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 1.7830 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 1.8940 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 1.8160 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0320 -0.5660 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -0.1780 1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 -4.4530 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 -9.1540 2.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 -9.6930 4.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 -9.2220 3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9580 -9.0920 6.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0810 -10.1070 5.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7600 -5.9880 5.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3680 -6.7050 6.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 -6.2150 3.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 -5.5570 4.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 -2.1460 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 -1.9110 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 -0.2000 -1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -1.6460 -1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -0.1770 -2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5870 -8.0720 5.4060 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1870 -8.2260 6.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2010 -8.1180 4.5810 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 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 21 2 0 0 0 0 5 6 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 20 2 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 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 45 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 M CHG 1 45 1 M END