PUBCHEM-ZINC05248065 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 1 0 0 0 0 0999 V2000 0.0080 0.8290 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 1.0300 2.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 2.9980 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 3.4900 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 4.9320 -0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 5.8220 -0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 5.5420 -1.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 7.2170 -0.2460 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4580 7.8610 -1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 7.7590 0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 9.0290 1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 8.8030 2.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9890 7.9020 1.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 8.0590 2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4130 7.4550 2.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3340 7.8600 3.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0070 8.8540 4.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7520 9.4700 4.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8400 9.0530 3.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 9.4850 3.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 10.2020 3.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 7.0120 0.4090 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5390 7.1840 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 5.5360 0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 4.9500 1.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.2520 0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 1.2110 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 1.0590 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 1.3730 2.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -0.0610 2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 1.4590 3.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 3.3510 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 3.3590 2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 3.2330 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 3.0180 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 6.9870 1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 7.9590 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 9.2720 2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 9.8730 0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6810 6.6760 1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3130 7.3900 3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7370 9.1570 5.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5010 10.2470 5.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 1.4830 1.1980 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7000 1.1470 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 44 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 44 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 22 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 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END