PUBCHEM-ZINC02958853 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 0.2560 -3.0700 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -1.5510 3.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -0.2560 3.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9010 -0.3030 3.6580 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5120 -0.6700 2.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -1.9560 1.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 -0.0100 4.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 0.0800 5.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 0.2180 4.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8810 -0.5060 5.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2590 -0.2500 5.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8350 0.7320 4.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9780 1.4610 4.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5990 1.2170 3.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2010 1.0640 4.8750 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1580 1.0120 5.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4200 1.1850 5.5770 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.2320 1.0200 6.8020 C 0 0 3 0 0 0 0 0 0 0 0 0 -11.5230 -0.0370 6.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4880 1.8800 6.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1060 3.4030 7.5770 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.9230 3.4760 8.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0510 4.4830 6.6150 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4480 2.9830 8.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4060 1.4620 8.0050 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.7760 1.0150 8.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7680 0.8560 7.5590 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -3.9350 1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 -2.9000 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 -3.1940 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -1.4550 3.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -2.4070 3.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -0.0560 4.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 0.5890 3.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5890 -0.8190 2.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 0.1690 1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 -2.8250 2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 -2.1260 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4590 -1.2650 6.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8750 -0.8550 6.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3810 2.2570 3.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9630 1.8260 3.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5570 1.3980 3.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8070 2.1000 5.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3090 1.4080 7.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7720 3.4710 7.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2570 3.3670 9.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 -1.8510 1.7560 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1390 -1.0560 1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 48 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 48 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 6 48 1 0 0 0 0 7 8 2 0 0 0 0 7 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 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 25 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END