IBS-ZINC05196172 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 0 0 0 0 0 0999 V2000 -0.1270 1.3010 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -0.1130 -0.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -0.6120 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 0.1440 2.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 -0.4680 3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -1.8650 3.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 -2.6500 2.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -2.0110 1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -3.9880 2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 -4.0200 3.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 -2.7230 4.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9520 -2.4360 4.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 -5.2250 4.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 -5.2510 5.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3260 -6.3550 3.6220 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 -6.2380 2.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -5.1470 1.8390 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6850 -7.6810 4.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 -8.2400 5.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -9.8510 6.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -11.2000 7.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 -12.0150 5.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 -10.6440 4.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 1.7670 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 1.5320 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7020 1.7140 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 1.2290 2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 0.1300 3.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -2.6060 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -7.2070 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 -8.3440 3.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 -7.6150 4.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -7.5100 5.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -8.2910 4.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -9.8500 6.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -9.0700 7.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -11.2110 7.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -11.4520 8.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -12.8230 4.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 -12.0510 5.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -10.4610 3.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -10.6920 4.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 -9.5530 5.6620 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 -12.2930 6.4320 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5600 -13.1900 6.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -12.3990 6.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 43 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 44 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 M CHG 1 44 1 M END