IBS-ZINC05179961 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 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 0 0 0 0 0 0 0 0 0 0 0.7600 -0.5370 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -0.6720 2.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -1.2050 3.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 -1.6020 3.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9170 -1.4650 1.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 -0.9270 0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -0.6850 -0.5980 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -0.5330 -1.1910 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9440 0.5170 -2.2080 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 1.2230 -2.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4530 2.1590 -2.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7940 0.6500 -0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -1.8270 -1.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -1.8940 -3.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 -3.1620 -3.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 -4.2910 -2.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -5.4720 -3.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -5.5440 -4.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 -4.4280 -5.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -3.2350 -4.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -2.1390 -5.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -2.2870 -7.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 -6.7120 -5.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 -7.8230 -4.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -0.5630 -0.0300 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 -0.5830 -0.3610 2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 -1.3110 4.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2460 -2.0200 3.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -1.7770 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 0.6800 -2.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6330 1.2800 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8590 0.5520 -1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 -2.6990 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -1.0220 -3.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -4.2380 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 -6.3450 -2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 -4.4880 -6.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 -1.3400 -7.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 -3.0540 -7.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 -2.5800 -7.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8230 -7.5740 -3.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 -8.6900 -4.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -8.0520 -3.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -0.2220 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -1.6520 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -0.2120 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 2 27 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 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 M END