PUBCHEM-ZINC01209044 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -1.4720 1.1870 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 -0.2540 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 -0.9820 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -2.3110 1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 -2.9160 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -2.1910 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 -0.8620 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -4.6040 -0.1390 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 -4.7760 -1.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 -4.9070 1.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -5.4570 -0.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 -5.5460 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2730 -4.6610 -1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1560 -4.7640 1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 -5.6440 1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3260 -4.1500 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3070 -4.6460 1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5680 -3.8980 2.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4800 -4.3550 3.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1440 -5.5680 3.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8900 -6.3150 1.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9800 -5.8640 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5700 -7.5960 1.7420 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.6130 -7.8030 2.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0460 -8.3910 0.9480 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5860 1.8290 0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 1.4650 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 1.3740 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -0.5090 2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -2.8530 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 -2.6390 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 -0.2970 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -5.2820 -2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 -6.5950 -1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0230 -3.5970 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9450 -4.8620 -2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7390 -5.0420 2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 -3.7010 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 -6.7020 1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -5.4450 2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7980 -4.2060 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0420 -3.1050 0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0690 -2.9450 2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6760 -3.7620 4.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8460 -5.9090 3.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8060 -6.4500 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0440 -4.9600 0.0590 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3150 -5.9520 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 47 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M CHG 1 47 1 M END