PUBCHEM-ZINC06185725 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 -0.1340 1.8870 -1.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 1.1610 -0.5660 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5270 1.8530 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 0.4720 -0.2160 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5020 0.8610 0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 0.6360 -1.3680 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9570 -0.1440 -2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 2.2230 -2.1030 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5580 0.6000 -0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5900 0.6640 -2.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0100 0.5240 -1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0600 0.5990 -2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4690 0.4460 -2.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7160 0.2640 -0.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4330 0.5380 -3.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8530 0.4060 -2.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 1.7250 -2.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2300 1.5720 -1.8190 S 0 0 0 0 0 0 0 0 0 0 0 0 14.1130 1.2610 -3.6530 S 0 0 0 0 0 0 0 0 0 0 0 0 14.3580 2.9570 -4.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4730 3.6940 -3.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7710 5.0520 -4.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9120 5.4880 -5.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -0.9100 -0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 -1.1330 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -2.2030 -0.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 0.0790 -0.5740 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 1.2680 -2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 2.8140 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7420 1.4170 -0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 -0.3330 -0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3960 -0.1390 -2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5060 1.6140 -2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1980 1.3140 -0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 -0.4320 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8890 -0.1950 -3.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9930 1.5630 -3.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1600 0.7070 -3.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9780 -0.3770 -1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3240 0.0650 -3.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3210 2.5170 -2.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9430 2.0590 -1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6080 2.8550 -5.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4080 3.5000 -4.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2070 3.8740 -2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3960 3.1010 -3.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 -1.6570 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1790 0.1530 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8570 5.5780 -3.8300 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 48 1 0 0 0 0 M CHG 1 49 -1 M END