PUBCHEM-ZINC06093453 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3850 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 1.2250 -0.6680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.0140 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 1.3370 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 2.0630 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9210 2.1920 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2150 2.3760 -2.0530 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2900 3.8430 -2.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 5.0880 -2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 6.2330 -2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 6.1050 -2.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 4.8360 -2.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 3.7540 -2.6790 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 4.6900 -3.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 5.6750 -3.4810 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 -2.1480 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -2.7760 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 1.9240 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -0.5630 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 3.1430 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9670 5.1540 -2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 7.2070 -2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 6.9820 -3.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 3.4650 -3.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 -2.7970 -0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 -3.7630 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 3.4200 -3.5520 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 19 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 17 18 2 0 0 0 0 17 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 M END