IBS-ZINC04040161 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 -1.0540 1.2180 0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 -0.1290 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -1.0080 1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -2.1230 0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -1.9640 -0.6760 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -2.6180 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -0.7840 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 -0.3740 -2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 0.6650 -2.5210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 -1.3460 -3.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 -1.0580 -4.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -3.3370 1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.8480 2.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 -0.9060 3.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5590 -1.1310 2.9280 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8650 -0.3330 2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3570 -0.9640 4.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 -0.8090 5.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 -0.6940 6.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -0.7750 4.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 -0.6470 5.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8170 -0.8790 4.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5120 -1.8800 5.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1410 -4.2300 5.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1070 -3.8320 3.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 -2.4750 2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1130 -2.8920 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1320 -4.3060 1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 -4.6660 2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6930 -3.5610 3.1560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -0.6700 3.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 1.9540 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 1.1880 0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 1.5740 1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 -1.8940 -5.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8840 -0.9610 -4.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -0.1480 -4.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -4.0770 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 -3.0740 1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -3.8100 1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0730 0.1350 4.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1780 -0.9920 3.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1800 -1.7430 6.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6010 -1.7620 5.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1270 -4.2400 6.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3770 -3.8580 6.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8650 -5.2260 5.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0450 -3.1670 2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1260 -3.8610 4.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7720 -4.8350 3.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2570 -2.2540 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3060 -4.9820 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7380 -5.6160 2.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 -0.6060 4.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1900 -3.3080 4.6790 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2330 -3.3060 4.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 55 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 55 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 31 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END