PUBCHEM-ZINC04764482 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 73 0 0 0 0 0 0 0 0999 V2000 0.2510 1.2370 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -0.2610 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 -0.6990 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 -0.5440 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -0.2560 -1.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -1.2690 -2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 -2.1270 -1.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6830 -1.9470 -2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5310 -2.9660 -2.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8090 -3.7310 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 -3.2240 -1.1170 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 -3.7660 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 0.9420 -1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3130 1.2070 -2.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7650 1.9500 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 3.1100 -0.5210 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0060 3.1380 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1980 3.1630 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6930 3.1930 1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3650 1.9470 1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1730 1.9220 -0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6780 1.8920 -0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 4.1500 -1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 4.0890 -1.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8080 5.3890 -1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9650 6.3620 -2.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7700 7.6010 -2.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7320 8.6730 -1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 9.8100 -1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2480 9.8750 -3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2850 8.8040 -3.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5430 7.6690 -3.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 1.4480 -0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 1.5360 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 1.7950 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 -0.8150 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -0.1440 2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -1.7660 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 -0.4970 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 -1.5910 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 0.0890 0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 -0.7780 -3.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 -1.8920 -2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9510 -1.1650 -3.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5690 -3.1090 -2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1680 -4.5970 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 -3.3030 0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 -4.8440 -0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 -3.5550 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 1.4970 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 2.2700 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4550 4.0300 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 2.2720 1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7190 4.0510 1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8300 3.2110 2.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1420 4.0850 1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9160 1.0550 1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4300 1.9680 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6530 1.0340 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6220 2.8130 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5420 1.8740 -1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2300 1.0000 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7030 5.1170 -2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0960 5.8650 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 6.6340 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6760 5.8860 -3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 8.6220 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4420 10.6470 -1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8260 10.7630 -3.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8930 8.8550 -4.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5700 6.8330 -4.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 9 10 2 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 21 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 22 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 27 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 67 1 0 0 0 0 29 30 1 0 0 0 0 29 68 1 0 0 0 0 30 31 2 0 0 0 0 30 69 1 0 0 0 0 31 32 1 0 0 0 0 31 70 1 0 0 0 0 32 71 1 0 0 0 0 M END