IFLAB-ZINC04061763 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -1.2330 0.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -0.2060 -0.9880 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 -0.7130 -0.9780 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9920 -0.7600 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6620 -2.1130 -1.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 0.2230 -1.7920 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5730 1.1960 -1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9550 0.3850 -3.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2310 1.4250 -3.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8130 1.3540 -4.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 0.2570 -5.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1360 -0.7720 -4.4900 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.7660 0.5280 -2.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1380 -0.1370 -2.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6910 -0.3930 -1.4590 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8020 -1.2680 -0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4300 -0.6030 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9780 -0.9360 -1.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1830 -2.1400 -2.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4550 -2.6740 -2.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5260 -2.0110 -1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3290 -0.8100 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0570 -0.2710 -0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8620 0.9070 -0.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0140 1.5320 0.2550 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 0.3600 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -2.0660 -2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0240 -2.7800 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6840 -2.4900 -1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 2.2600 -2.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 2.1290 -5.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 0.0320 -6.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3410 0.6930 -3.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8750 1.4840 -2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8080 0.5230 -3.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0320 -1.0800 -3.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2270 -1.4320 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6930 -2.2230 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5350 0.3400 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7600 -1.2620 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3480 -2.6600 -2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6130 -3.6120 -2.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5180 -2.4320 -1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1680 -0.2950 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7190 2.4610 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7360 1.7490 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4640 0.8640 0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8760 -0.3460 -1.8820 N 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 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 59 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 59 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 21 59 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 M END