IBS-ZINC04042301 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 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 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 0.1090 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 -0.5160 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6780 -1.9060 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -2.6650 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -2.0150 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8740 -4.0280 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2320 -4.0780 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7320 -2.7900 0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6720 -2.5490 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0400 -5.3050 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 -6.3920 0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 -5.2120 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 -5.6200 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 -6.7710 1.4150 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -6.6820 1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -5.6520 1.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -8.0520 1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 -8.5660 1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 -9.9360 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 -10.8030 1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -10.2930 1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -8.9230 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 -8.0550 1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 -8.4370 1.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -12.2660 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 -13.0220 1.3660 O 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 -2.3270 1.1880 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5090 0.0730 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -2.5910 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 -6.0460 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -4.9440 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -4.7860 1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5290 -5.8880 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 -7.8980 1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6870 -10.3360 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -10.9640 1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3860 -5.2270 0.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0620 -12.7600 1.3450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 -13.7220 1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8740 -6.0610 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 13 43 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 28 29 2 0 0 0 0 28 44 1 0 0 0 0 43 46 1 0 0 0 0 44 45 1 0 0 0 0 M END