PUBCHEM-ZINC04557005 MOE2007 3D CORINA 3.40 0006 02.08.2006 80 81 0 0 1 0 0 0 0 0999 V2000 1.8680 -0.0340 2.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 0.1720 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0860 -0.7810 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.1150 0.0180 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1010 0.4860 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 0.2320 -1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 -0.6500 -2.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 1.5230 -1.8310 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 1.8480 -3.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 3.0110 -3.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 3.3290 -4.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 2.4920 -5.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 1.3340 -5.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 1.0070 -4.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 2.8370 -7.2530 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2690 3.8570 -7.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 2.1010 -8.1320 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3540 -1.5360 0.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -1.9750 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 -1.1940 2.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 -3.4370 1.4180 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1280 -4.0490 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -3.7200 0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 -5.0060 1.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -4.7840 3.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -3.8090 2.8430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -3.3350 3.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -2.4520 3.5640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -3.9020 5.2070 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9510 -4.2740 5.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 -5.0520 5.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -2.8550 6.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -2.9390 7.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 -3.8820 7.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -1.8610 8.4400 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3080 -1.8000 8.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -0.5180 7.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -2.1810 9.7250 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -1.6930 10.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -0.9880 10.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -2.0220 12.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -1.3480 13.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -1.6780 14.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -2.3800 14.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -1.1910 15.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -1.5500 17.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 0.2680 2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 0.5700 2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 -1.0860 2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 1.2020 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -1.8100 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1920 -0.6340 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0370 -0.5760 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 2.2260 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 3.6650 -2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 4.2330 -5.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 0.6830 -6.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 0.1000 -3.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -2.1610 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7100 -2.9020 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 -3.9060 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 -5.0900 1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 -5.8890 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 -4.3910 3.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 -5.7240 3.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 -4.6660 5.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -5.5120 6.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -5.7950 4.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -2.1000 5.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 -0.5780 7.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 0.2620 8.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -0.2790 6.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -2.7450 9.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 -1.6610 12.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -3.1020 12.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -1.7090 13.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 -0.2680 13.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 -1.1930 16.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -2.6340 17.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -1.0920 17.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 50 1 0 0 0 0 3 51 1 0 0 0 0 3 52 1 0 0 0 0 3 53 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 54 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 55 1 0 0 0 0 11 12 1 0 0 0 0 11 56 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 57 1 0 0 0 0 14 58 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 59 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 23 24 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 25 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 26 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 32 33 1 0 0 0 0 32 69 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 38 39 1 0 0 0 0 38 73 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 42 43 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 46 78 1 0 0 0 0 46 79 1 0 0 0 0 46 80 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END