PUBCHEM-ZINC05118767 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 0.0810 0.0260 1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 0.5210 3.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 2.1130 1.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 2.7120 2.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 4.1930 2.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 4.7670 3.7420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 5.3860 4.9810 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6600 6.2470 4.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 5.8280 5.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6130 5.4680 4.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1100 4.8170 3.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8100 4.3900 2.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7830 5.6600 5.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 6.4640 6.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 6.6260 7.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7680 6.9420 7.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2480 6.6920 8.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4640 7.2810 9.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9680 7.9880 7.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9170 7.9570 6.6400 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 4.3820 5.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 3.0720 5.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 2.1520 6.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 2.5410 7.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 3.8490 7.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 4.7690 6.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 4.2660 7.8970 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2230 3.4550 8.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 5.4190 7.8230 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2430 -1.0260 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 0.5030 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 0.1070 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 0.9550 3.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 -0.5410 3.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 1.0230 4.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 2.2150 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 2.6400 1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6310 2.1850 3.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 2.6100 3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 4.7200 2.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 4.2950 1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 7.0800 8.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7220 6.0930 9.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9780 7.1810 9.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9120 8.5130 8.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 2.7690 5.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 1.1290 6.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 1.8220 7.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 5.7910 6.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 0.6910 2.1720 N 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 50 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 50 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 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