PUBCHEM-ZINC05821770 MOE2007 3D CORINA 3.40 0006 02.08.2006 81 80 0 0 1 0 0 0 0 0999 V2000 2.1890 0.0080 1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 -1.4820 1.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -2.0020 0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -3.5050 0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -4.0720 -0.0440 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3980 -3.4880 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -3.9040 -1.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 -4.4430 -2.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -5.5430 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4940 -7.3170 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 -7.5440 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3560 -8.9890 0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3560 -10.5760 1.1370 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7150 -11.2360 0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8120 -10.6860 0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8920 -10.3600 -0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1460 -9.5250 -1.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8780 -11.0520 -1.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0250 -10.7700 -2.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2160 -11.5760 -3.3710 C 0 0 3 0 0 0 0 0 0 0 0 0 -11.1090 -11.3630 -2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4910 -11.2880 -4.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9390 -12.9710 -3.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7410 -13.1230 -2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2640 -10.8460 2.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7260 -12.2520 3.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5360 -13.3780 2.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2450 -12.3880 2.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8640 -12.3330 4.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3660 -13.6220 5.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5590 -13.5710 6.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9350 0.3580 2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 0.2280 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 0.5790 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 -2.0210 1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 -1.6690 2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -1.4600 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 -1.7930 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 -4.0500 0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -3.6900 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -2.8390 -1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -4.3820 -1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 -5.5350 -2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 -4.0330 -2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -4.1600 -3.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 -6.2380 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -5.7290 1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 -7.5000 1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -7.9450 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5140 -6.8600 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3660 -7.3110 -0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9220 -9.6920 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0190 -9.2360 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1810 -11.7040 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4720 -9.9920 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1980 -9.6970 -2.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1040 -11.0750 -3.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6270 -11.5510 -5.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3300 -11.8950 -5.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7310 -10.2330 -4.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6370 -10.0890 3.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2610 -10.7070 3.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4670 -13.3360 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1700 -14.3670 2.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5940 -13.3170 2.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6290 -11.6330 3.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 -13.3730 2.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1030 -12.2710 1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3260 -11.4860 5.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9210 -12.1960 4.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9070 -14.4900 4.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3020 -13.7750 5.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0040 -12.7350 7.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6170 -13.4540 7.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1980 -14.4960 7.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 -5.8910 0.2770 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7020 -5.2630 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5380 -5.6800 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8440 -9.1650 0.8500 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.3230 -8.4870 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1580 -8.9380 -0.1250 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