PUBCHEM-ZINC03870742 MOE2007 3D CORINA 3.40 0006 02.08.2006 77 81 0 0 1 0 0 0 0 0999 V2000 0.2580 1.7120 0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 0.3800 1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -0.6590 1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 -0.3250 0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 1.0110 0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 2.0500 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 3.4400 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 4.0730 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 5.4610 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 5.6070 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 4.3760 0.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 6.7460 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 6.5690 0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 7.6620 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 8.9700 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 9.1480 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 8.0520 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 10.1730 0.7700 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5340 11.0800 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 11.2720 -0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7330 10.9200 -1.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1360 12.1210 -2.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5300 13.3140 -1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4270 13.6740 -0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0170 12.4760 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -2.1140 1.2500 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3440 -2.7310 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -3.6820 3.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 -3.8580 4.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -5.2370 4.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 -5.5120 5.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -5.3250 4.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -3.9450 3.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 2.4890 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 0.1720 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 -1.0940 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 1.2230 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 3.6030 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 6.2520 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 5.5710 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6760 7.4650 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 10.1420 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 8.2390 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7170 11.5360 -1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4140 10.1070 -2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6140 10.5570 -1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3010 12.4020 -3.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9730 11.8460 -3.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7490 14.1770 -2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4510 13.0810 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 14.0460 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7670 14.4890 -0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8530 12.1990 0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 12.7860 0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -4.4180 2.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -3.0890 4.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 -3.7250 3.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -5.3080 5.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -6.0060 4.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.8350 6.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 -6.5330 5.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 -5.4590 4.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -6.0990 3.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -3.8800 2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 -3.1810 4.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 10.3170 2.1640 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0540 11.1930 2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 10.2800 2.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1970 9.5590 2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 10.0700 -0.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 9.2940 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -2.5550 0.2330 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6260 -3.5710 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -2.2620 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -2.1370 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 -2.3180 2.5470 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -1.6750 3.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 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 38 1 0 0 0 0 9 10 2 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 66 1 0 0 0 0 18 70 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 20 44 1 0 0 0 0 20 70 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 72 1 0 0 0 0 26 76 1 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 28 55 1 0 0 0 0 28 76 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 33 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 66 67 1 0 0 0 0 66 68 1 0 0 0 0 66 69 1 0 0 0 0 70 71 1 0 0 0 0 72 73 1 0 0 0 0 72 74 1 0 0 0 0 72 75 1 0 0 0 0 76 77 1 0 0 0 0 M CHG 1 66 1 M CHG 1 72 1 M END