PUBCHEM-ZINC02816222 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 -0.6330 0.6230 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 -0.0120 0.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 0.1130 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 0.9280 1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3770 1.0490 2.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3870 0.3600 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0930 -0.4520 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7890 -0.5820 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -0.7370 -1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -0.2660 -2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -0.9750 -3.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -2.1800 -3.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 -2.6500 -2.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 -1.9360 -0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -2.9440 -4.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -2.2870 -5.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 -0.8640 -5.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 -0.7430 -7.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 -1.7520 -7.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -2.8120 -7.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -3.9460 -7.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 0.1960 -4.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 1.4110 -5.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 2.3930 -4.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 2.1740 -2.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 0.9700 -2.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 -0.0170 -3.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7010 3.2320 -1.9120 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1970 4.3210 -2.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 3.0140 -0.8510 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7950 1.6320 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 0.0400 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 0.6680 1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 1.4670 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 1.6820 2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4080 0.4560 1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8850 -0.9890 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 -1.2200 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 0.6620 -2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -0.6090 -4.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -3.5770 -2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -2.2980 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 -4.0210 -4.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 1.5830 -5.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 3.3350 -4.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8400 0.8050 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7440 -0.9550 -3.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 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 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END