PUBCHEM-ZINC05594052 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 54 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3840 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -0.6850 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 0.0190 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 1.4240 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 2.0980 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 1.8220 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0220 2.7360 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 0.6950 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -0.3600 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9660 0.6730 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4650 0.5380 1.3210 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8370 0.4930 1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3090 0.3650 2.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6640 0.3220 3.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5650 0.4060 2.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0880 0.5340 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7310 0.5720 0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0170 0.3600 2.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5790 0.2440 3.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9910 0.2220 3.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3680 0.7460 2.0880 C 0 0 3 0 0 0 0 0 0 0 0 0 14.5510 1.8190 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1070 0.4340 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5720 0.0220 1.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5470 0.7220 0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6510 0.0580 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7810 -1.3060 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8060 -2.0050 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7030 -1.3410 1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9630 -2.0170 0.0060 N 0 3 0 0 0 0 0 0 0 0 0 0 19.8220 -1.4000 -0.5990 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0760 -3.2180 0.1690 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5510 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -1.7650 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 3.1780 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 -0.1720 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3390 1.6010 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8410 0.4790 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6120 0.3000 3.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0300 0.2230 4.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7810 0.6000 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3610 0.6660 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2110 -0.5200 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9080 1.2390 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4460 1.7880 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4130 0.6050 -0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9060 -3.0710 1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9430 -1.8870 2.2720 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 36 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 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 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 M CHG 1 31 1 M CHG 1 33 -1 M END