PUBCHEM-ZINC00577206 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 40 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3750 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 1.2240 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 0.0430 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.4220 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 2.1920 -0.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7170 1.6090 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 3.4100 -0.0140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2530 -2.1550 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -2.8280 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -4.1950 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -4.9160 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 -6.2920 0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -6.9680 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -6.2500 -0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -4.8740 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 -8.4500 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 -9.2270 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -10.5500 -0.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -11.8110 -0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -12.8570 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -12.1940 0.8480 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -10.5070 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -9.2600 0.7360 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9010 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3670 -0.4740 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 -2.6760 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 -4.3930 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -6.8480 1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 -6.7740 -1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 -4.3180 -1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -8.8810 -1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -11.9420 -1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 -13.9000 -0.5160 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END