IFLAB-ZINC04033746 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.6370 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 0.0950 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -0.5460 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 -1.9270 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 -2.6880 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 -2.0400 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -2.8480 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -4.2000 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -4.8020 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -6.0180 -0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 -4.0680 0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4230 -4.5130 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -5.0620 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 -5.4710 1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 -6.3080 1.3450 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -6.7890 2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 -6.5270 3.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3740 -7.6420 2.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9120 -7.9030 1.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9260 -8.1630 3.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4330 -7.9570 4.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2100 -8.5970 5.8910 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0620 -8.5980 6.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2470 -9.2520 5.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1180 -9.0200 3.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0330 -9.5710 2.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0650 -10.3500 3.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1930 -10.5840 4.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2980 -10.0360 5.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8900 -2.5420 0.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0440 -1.7000 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 1.1740 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5080 0.0380 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -2.3800 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -5.9540 -0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 -4.5010 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -4.5780 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -6.0320 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0710 -6.5170 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5580 -7.3720 5.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9340 -9.3910 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7780 -10.7800 2.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0050 -11.1960 5.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4060 -10.2260 6.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9430 -2.3160 0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0260 -1.0760 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0440 -1.0660 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 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 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 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 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 29 30 2 0 0 0 0 29 47 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 33 50 1 0 0 0 0 33 51 1 0 0 0 0 33 52 1 0 0 0 0 M END