PUBCHEM-ZINC03685994 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 71 0 0 0 0 0 0 0 0999 V2000 -0.5490 1.8270 -0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 0.3340 -0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 -0.3430 -0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 -1.8450 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -2.5220 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6150 -3.0530 -1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8640 -3.6700 -0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4340 -3.7310 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8110 -3.2120 1.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 -2.5960 1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6780 -3.4500 2.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7980 -4.1120 2.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6300 -4.2670 0.6970 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2960 -4.7150 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9970 -4.6040 2.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1470 -3.8120 2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3210 -4.2350 3.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3570 -5.4610 3.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2140 -6.2760 4.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0230 -5.8460 3.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9050 -6.7030 3.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9790 -7.9100 4.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1790 -8.2480 4.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2700 -7.4520 4.7220 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3140 -9.5360 5.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4850 -5.9350 4.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7440 -5.4020 4.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8360 -6.2630 4.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4090 -3.0520 3.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8020 -1.5980 4.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4510 -1.1840 5.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8280 0.2680 5.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 2.2900 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 2.0200 -1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 2.3150 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -0.1180 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 0.1760 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 0.1200 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 -0.1730 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -2.3120 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 -2.0210 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1590 -2.9910 -2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3700 -4.0820 -1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0450 -2.1810 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1330 -2.8560 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1900 -3.5890 3.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9600 -6.4400 3.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1160 -8.5660 4.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6060 -9.5630 6.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3240 -9.6460 5.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1210 -10.3840 4.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8520 -4.3760 4.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8390 -5.4230 3.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8260 -5.8930 4.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7390 -7.3020 4.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7560 -6.2720 5.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9500 -3.7150 4.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3430 -3.1960 4.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2890 -0.9330 3.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8780 -1.4660 4.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9740 -1.8370 6.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3760 -1.3240 5.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2980 0.9550 5.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9070 0.4320 5.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4410 0.6320 7.3070 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.6900 1.6070 7.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4280 0.5360 7.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9180 0.0330 7.9950 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 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 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 10 2 0 0 0 0 6 7 2 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 43 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 44 1 0 0 0 0 11 12 2 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 18 2 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 32 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 65 66 1 0 0 0 0 65 67 1 0 0 0 0 65 68 1 0 0 0 0 M CHG 1 65 1 M END