IBS-ZINC05246589 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 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 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -1.2330 0.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -0.2060 -0.9880 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 -0.7130 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3590 -0.2140 -2.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4180 -0.8370 -3.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2000 -0.0220 -4.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5720 1.0500 -3.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0650 0.9260 -2.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 -0.6000 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 -0.2970 0.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -1.0990 2.3950 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2210 -1.9160 2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9360 0.0400 3.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8680 -0.3760 4.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 0.3570 5.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 0.0110 6.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5530 -1.0720 6.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 -1.8030 5.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7120 -1.4580 4.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7450 -2.2920 3.1260 C 0 0 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 -1.9530 0.3600 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6150 -1.8030 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -0.3620 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9550 -1.7780 -3.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4500 -0.2220 -5.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1800 1.8700 -3.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -0.7310 1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 0.9170 2.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 0.2860 3.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2020 1.2040 5.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6980 0.5850 7.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2130 -1.3450 7.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2200 -2.6490 5.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7800 -2.5220 2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2010 -3.2210 3.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 -1.5730 2.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 -2.1510 1.1850 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 4 1 0 0 0 0 2 13 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 44 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 24 2 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 44 45 1 0 0 0 0 M END