PUBCHEM-ZINC05800331 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 -0.3710 1.3990 -0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 0.0090 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -0.7230 1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -1.9790 0.6160 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9630 -3.1570 1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -4.2870 0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 -4.2820 -0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -3.1400 -1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -2.0280 -0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -0.8570 -1.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 -0.6210 -2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -0.2600 2.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 -0.5420 2.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 0.3020 3.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -0.2680 3.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 0.7000 4.5330 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4830 1.5500 4.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 1.2020 4.7210 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 1.1590 3.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4600 1.4860 3.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 0.5930 2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8310 0.4190 1.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0180 1.7230 5.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 0.7000 6.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7580 1.3600 7.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9050 1.0550 9.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1160 -0.6490 9.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 -0.4370 5.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 -0.3050 6.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -1.3780 7.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -2.5570 7.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -2.7230 6.1930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 -1.6640 5.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 2.0850 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 1.5720 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 1.6020 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -3.1530 2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 -5.1960 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 -5.1810 -1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -3.1370 -2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6070 2.6180 5.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 2.0330 6.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -0.0800 7.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5610 0.2030 5.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3460 2.1750 7.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 1.7540 8.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5220 1.6420 9.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3910 1.6960 8.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6080 0.2910 9.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -1.2200 8.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6530 -0.1170 10.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9010 -1.3230 9.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 0.6280 6.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -1.2980 8.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -3.4240 7.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -1.8440 4.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7470 0.3620 8.3430 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1470 -0.1620 7.5520 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 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 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 2 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 57 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 57 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 32 2 0 0 0 0 31 55 1 0 0 0 0 32 33 1 0 0 0 0 33 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 4 1 M CHG 1 57 1 M END