IFLAB-ZINC04272898 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 61 0 0 1 0 0 0 0 0999 V2000 0.1480 1.1150 -0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 -0.1860 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6650 -0.7400 -0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 -0.0150 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 1.2980 0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 1.8600 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 -0.5640 0.9210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 0.2610 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0180 -0.4310 0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8780 -2.6480 0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 -1.9690 1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4450 -2.5110 1.2180 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1780 -1.7210 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6620 -3.6260 2.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9420 -3.1650 3.6450 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1230 -2.3050 4.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1040 -1.8260 3.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5080 -1.9760 5.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8590 -1.9260 6.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1900 -1.6130 7.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1590 -1.3510 8.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8440 -1.3860 7.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4830 -1.6890 6.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9890 -1.0950 8.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9170 -0.8810 10.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2970 -1.0300 9.6570 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6910 -3.0190 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3900 -2.5200 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2480 -3.4710 -2.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4770 -4.4880 -1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1330 -4.2230 -0.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 1.5460 -1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -0.7720 -1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -1.7480 -0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 1.9020 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 2.8750 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6840 1.2360 0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7060 0.4470 2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1030 -0.4990 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8760 0.1160 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9450 -3.6540 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9370 -2.6920 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5020 -1.9990 2.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7270 -2.5530 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8010 -4.3010 2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5290 -4.2380 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7650 -3.5480 4.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6690 -2.1020 5.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2240 -1.5700 7.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4370 -1.7090 6.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7710 0.1330 10.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6980 -1.6010 10.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9340 -1.5870 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6580 -3.4230 -3.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1050 -5.4190 -2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0740 -1.8460 1.3950 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9540 -1.7580 2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 9 56 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 10 56 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 12 56 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END