PUBCHEM-ZINC06068314 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 60 0 0 1 0 0 0 0 0999 V2000 -4.6860 -4.4880 -1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2940 -4.2100 -1.2370 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4590 -5.4320 -1.3770 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6540 -5.9600 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -6.2830 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 -5.2640 0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 -3.8900 0.2120 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9770 -3.2000 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 -3.3440 0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -4.4500 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 -4.9960 -1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 -3.9180 0.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 -4.7760 0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -5.9920 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -5.7140 -1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 -6.7140 -2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 -8.0240 -1.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 -8.2780 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -7.2410 0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -7.8240 1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 -7.2830 2.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 -5.7960 3.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 -4.7600 2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -3.4480 2.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 -3.2060 4.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 -4.2830 4.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -5.5530 4.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7480 -3.1140 -2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0890 -5.2680 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2810 -3.5820 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7220 -4.8230 -2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 -6.9890 -0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9390 -6.8120 0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3420 -5.4680 1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 -5.2920 1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 -2.4940 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 -3.0320 1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 -5.2560 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 -5.8550 -1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -4.2250 -1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -4.2700 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 -4.6890 -1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 -6.4840 -3.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -8.8350 -2.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4050 -9.3020 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 -7.6300 1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -8.9030 1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 -7.8120 3.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 -7.4920 3.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 -2.6110 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -2.1950 4.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -4.1260 5.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -6.3930 5.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 -2.2190 -1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7210 -2.9130 -1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 -3.3980 -3.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 38 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 13 14 1 0 0 0 0 13 23 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 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 M CHG 1 2 1 M END