PUBCHEM-ZINC05159455 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 0 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 3 0 0 0 0 0 0 0 0 0 0 0.9060 -0.4080 1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 -0.4380 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 -0.1500 -0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0580 -0.5160 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9240 -0.2400 -1.5810 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2470 -0.4870 -1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7210 -0.9390 -0.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1170 -0.2100 -2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4480 -0.4390 -2.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1220 -0.0010 -4.1420 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.5340 0.4760 -4.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6520 0.2870 -3.7970 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2490 1.0120 -6.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2120 1.1900 -7.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4660 1.8430 -8.4600 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.8920 1.8160 -7.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0200 1.3610 -6.4640 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7010 2.2220 -8.2500 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 0.1850 2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -1.4680 1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 -0.1840 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -1.4970 0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0380 0.1560 1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 0.9090 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -0.7440 -1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1140 -1.5750 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3860 0.0780 0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5460 0.1200 -2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0000 -0.8360 -1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2610 0.9690 -6.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6930 2.5550 -9.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8750 2.1740 -7.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 M CHG 1 2 1 M END