PUBCHEM-ZINC05822087 MOE2007 3D CORINA 3.40 0006 02.08.2006 81 80 0 0 1 0 0 0 0 0999 V2000 3.6480 -5.7960 -2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 -4.8460 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -5.1980 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 -4.2440 -0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 -4.4100 -0.5800 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2890 -4.2070 -1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 -3.3840 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -1.9280 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -5.8550 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4030 -7.4690 -0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9180 -7.5350 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4200 -8.9740 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5650 -10.3760 -0.5660 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.9470 -11.0020 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9880 -10.2690 -1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9380 -9.7260 -2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0910 -8.9010 -2.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9370 -10.2230 -3.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9620 -9.7250 -4.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1780 -10.3310 -5.3760 C 0 0 3 0 0 0 0 0 0 0 0 0 -12.0890 -10.1260 -4.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3270 -9.8070 -6.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0300 -11.7510 -5.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9120 -12.0580 -4.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6000 -10.8740 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2200 -12.3730 1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0820 -13.3040 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7340 -12.5950 0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4680 -12.6660 2.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1330 -14.0810 3.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4190 -14.2320 4.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 -5.5260 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 -6.8280 -1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3470 -5.7550 -3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -4.8890 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9700 -3.8210 -1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 -5.1500 -2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -6.2300 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -4.3780 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 -3.2210 -0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8830 -3.4850 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -3.5950 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 -1.6840 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 -1.7040 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 -1.2670 0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 -6.5740 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -6.1150 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1100 -7.8300 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 -8.0380 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4120 -6.9110 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1880 -7.1250 -1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0020 -9.6050 -1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1760 -9.3970 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4560 -11.2580 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6180 -9.6000 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0350 -8.6320 -4.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0370 -10.0370 -5.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4470 -10.0550 -7.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1870 -10.2730 -7.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4650 -8.7210 -6.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9410 -10.2620 1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6070 -10.7030 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9380 -13.1100 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8270 -14.3570 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1470 -13.1790 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0860 -11.9850 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4410 -13.6420 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5100 -12.3370 -0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8860 -11.9510 3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5230 -12.4660 2.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7230 -14.8260 2.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0760 -14.3080 2.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8210 -13.5290 5.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4770 -14.0500 4.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1750 -15.2460 4.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 -6.0450 -0.4850 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4660 -5.4740 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1870 -5.6710 -1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9120 -8.9960 -0.6070 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.3680 -8.3710 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1380 -8.5990 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 46 1 0 0 0 0 9 47 1 0 0 0 0 9 76 1 0 0 0 0 10 11 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 10 76 1 0 0 0 0 11 12 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 12 52 1 0 0 0 0 12 53 1 0 0 0 0 12 79 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 13 79 1 0 0 0 0 15 16 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 30 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 30 31 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 31 73 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 0 0 0 0 76 77 1 0 0 0 0 76 78 1 0 0 0 0 79 80 1 0 0 0 0 79 81 1 0 0 0 0 M CHG 1 76 1 M CHG 1 79 1 M END