PUBCHEM-ZINC06891231 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 71 0 0 1 0 0 0 0 0999 V2000 2.5720 1.2320 3.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 -0.1780 3.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -0.2360 2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -1.6150 1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -2.4670 2.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -3.7000 1.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 -3.6470 0.8720 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -2.3540 0.9510 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 -1.9890 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5110 -3.0060 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 -2.7030 -1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9920 -1.3760 -1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1570 -0.3710 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 -0.6690 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2390 -1.0780 -2.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0860 -1.7250 -3.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4970 0.4300 -2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4910 -1.6580 -1.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -4.9750 1.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6650 -5.1840 0.3870 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0590 -5.0180 -0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8280 -4.1850 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 -6.6440 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9160 -7.0050 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2310 -8.5060 -0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8700 -8.9620 -2.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0590 -10.4820 -2.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2080 -8.2710 -2.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 -8.6410 -3.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -2.1740 3.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -1.0960 2.8490 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7290 1.5920 4.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4670 1.2500 4.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7260 1.9270 2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 -0.5180 2.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 -0.8550 4.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 0.0870 2.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 0.4980 1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 -4.0540 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2300 -3.5340 -1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3510 0.6800 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 0.1690 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1890 -1.3550 -4.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9490 -1.5000 -4.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0050 -2.8160 -3.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6480 0.9570 -1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3980 0.5920 -3.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6650 0.9100 -3.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4430 -2.7480 -1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 -1.4270 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6110 -1.2420 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -5.8030 1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 -5.0390 2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 -3.1520 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4350 -4.2990 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4820 -4.3180 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -7.3150 0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 -6.8300 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8510 -6.4390 -0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 -6.7160 -1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 -9.0530 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 -8.7730 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7340 -10.7970 -1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4670 -10.8360 -3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0990 -10.9940 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0770 -7.1970 -2.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6680 -8.6640 -3.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9110 -8.4140 -1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 -8.9140 -4.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 -3.0160 3.9830 O 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 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 8 9 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 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 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 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 52 1 0 0 0 0 19 53 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 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 59 1 0 0 0 0 24 60 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 69 1 0 0 0 0 30 31 1 0 0 0 0 30 70 2 0 0 0 0 M CHG 1 31 -1 M END