OTAVA-ZINC04539524 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -0.7500 2.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -1.2080 3.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 -1.4200 3.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7660 -1.1750 2.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 -0.7200 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1080 -1.3830 2.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -1.8560 3.4480 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4270 -1.2300 4.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2520 -1.7870 3.2890 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5570 -0.7480 3.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9290 -2.3760 4.5320 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6810 -1.7720 5.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4160 -3.8030 4.7320 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6800 -4.4080 3.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 -3.7590 4.8810 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6260 -3.1310 5.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3280 -3.2070 3.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -5.1820 5.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0690 -5.7130 6.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4930 -5.7170 6.1530 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7880 -6.3650 5.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9710 -4.3900 5.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0940 -6.2340 7.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7890 -7.5080 7.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3400 -7.9830 9.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1970 -7.1840 9.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5030 -5.9100 9.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9550 -5.4370 8.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3450 -2.3920 4.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6530 -2.5540 2.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6280 -1.9770 0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2740 -0.8230 0.7710 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0410 -2.7660 -0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 -0.5830 2.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -1.3990 4.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 -1.7780 4.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 -0.5320 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3130 -5.1650 5.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5970 -5.8000 4.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1190 -8.1330 7.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1020 -8.9780 9.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6280 -7.5540 10.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1720 -5.2860 9.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1970 -4.4440 7.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7320 -1.5180 4.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9360 -3.4770 2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1700 -3.2670 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4670 -2.0920 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7860 -3.5090 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 40 1 0 0 0 0 2 41 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 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 6 7 2 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 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 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 33 34 1 0 0 0 0 33 54 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 55 1 0 0 0 0 36 56 1 0 0 0 0 36 57 1 0 0 0 0 M END