IBS-ZINC02249436 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 -0.0290 1.5030 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.0040 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -0.7010 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -2.0840 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -2.7790 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -2.0950 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -0.6990 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 0.0390 -2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 1.3340 -2.4830 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 2.0350 -3.6890 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 2.4920 -4.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 3.1460 -5.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 3.0840 -5.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 2.3640 -4.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0410 2.1570 -4.4790 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 2.6070 -5.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2150 2.3900 -5.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0050 2.8510 -6.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 3.5400 -7.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 3.7700 -7.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 3.3070 -6.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 3.5190 -6.6360 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 3.7690 -6.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 4.9400 -6.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9090 3.0480 -7.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9290 3.6740 -8.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4640 2.6450 -9.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5280 3.2990 -9.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0280 2.3380 -10.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0340 2.8490 -11.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 2.3300 -3.5930 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 1.8840 -0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 1.8590 -0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 1.8540 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -0.1650 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -2.6250 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -3.8590 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -2.6390 -2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 -0.4980 -3.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6540 1.8580 -4.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0710 2.6820 -6.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1060 3.8970 -8.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 4.3060 -8.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 2.1160 -7.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7470 4.0350 -7.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4880 4.5110 -8.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6460 2.2840 -9.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9050 1.8090 -8.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3460 3.6600 -9.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0880 4.1350 -10.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8830 3.2000 -11.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6240 3.6760 -12.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3610 2.0590 -12.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 1.8610 -2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 2.6840 -4.0160 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 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 22 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 M END