PUBCHEM-ZINC03870441 MOE2007 3D CORINA 3.40 0006 02.08.2006 78 81 0 0 1 0 0 0 0 0999 V2000 2.3500 2.4340 1.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 2.1960 2.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 2.7940 2.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.6110 2.9900 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7670 3.5400 1.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6780 3.9220 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 3.7850 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 3.2960 0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 3.5660 -0.2560 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8830 2.6070 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 4.5430 -1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 4.3610 -2.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 4.5740 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 4.1420 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 4.6390 0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 4.6710 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7160 5.1710 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1150 5.2020 0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1550 5.7060 1.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5540 5.7370 1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5930 6.2440 2.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9930 6.2750 1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0210 6.7800 2.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5380 7.1670 2.7030 C 0 0 3 0 0 0 0 0 0 0 0 0 -14.4380 6.5620 3.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3880 8.6620 3.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7000 9.2790 3.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7720 9.1490 2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8590 7.7450 1.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8720 6.8350 2.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1210 5.4660 1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2600 5.1250 1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.3080 6.1430 0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.3520 5.8640 0.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.0340 7.3970 1.2880 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.7680 8.0860 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 1.9380 1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 1.5520 3.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 4.3970 -2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 5.5840 -1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 3.3530 -2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 5.0690 -2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0400 5.6380 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 4.2800 -1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 3.1170 -0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 4.8040 -0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 3.9880 1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 5.6450 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6730 5.3220 -0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9480 3.6650 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7170 4.5200 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4420 6.1770 1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1130 5.8520 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3890 4.1960 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1570 5.0570 2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8800 6.7130 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5520 6.3850 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8300 4.7300 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5950 5.5960 2.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3180 7.2510 2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9910 6.9210 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2670 5.2670 1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0870 6.1210 3.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7930 7.8020 2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6360 8.7820 3.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0270 9.2310 2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0330 8.7820 4.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5500 10.3370 3.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7340 9.4560 2.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5530 9.8320 1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3870 4.6930 1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4760 4.1150 0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 4.1360 0.5670 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0250 3.6010 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 5.0890 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3680 6.7920 1.8130 N 0 3 0 0 0 0 0 0 0 0 0 0 -13.3570 7.4220 0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5370 5.8590 1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 8 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 73 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 14 73 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 51 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 23 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 23 76 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 0 0 0 0 24 76 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 67 1 0 0 0 0 27 68 1 0 0 0 0 28 29 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 30 2 0 0 0 0 29 35 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 71 1 0 0 0 0 32 33 1 0 0 0 0 32 72 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 73 74 1 0 0 0 0 73 75 1 0 0 0 0 76 77 1 0 0 0 0 76 78 1 0 0 0 0 M CHG 1 73 1 M CHG 1 76 1 M END