PUBCHEM-ZINC02077973 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.5920 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 4.0940 1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 5.5460 1.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 6.1510 2.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 5.4840 3.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 7.4960 2.7440 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 8.1200 3.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 9.5210 4.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 10.0950 5.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 9.2980 6.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 7.9900 6.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 7.4060 5.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 11.4530 5.1760 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 11.6740 3.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 10.5400 3.1930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 12.4770 6.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 12.7640 6.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 13.8340 7.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9580 14.1200 8.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9540 15.1200 9.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -2.1590 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1820 -2.7820 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -2.7540 -0.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -0.4990 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 3.9710 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 3.9460 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 3.7160 1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 3.7410 1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 8.0290 1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 7.3710 7.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 12.6480 3.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 13.3910 5.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 12.1220 7.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9760 11.8500 7.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1020 13.1200 5.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 14.7480 7.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9440 13.4780 8.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4090 13.2070 8.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5350 14.4760 7.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8340 15.3520 9.5430 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 38 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 21 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 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 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END