PUBCHEM-ZINC04917717 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 0 0 0 0 0 0999 V2000 0.0470 0.4790 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 0.9600 2.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 2.7930 0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 3.1880 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 4.6430 -0.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 5.2710 -1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 5.3780 -2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 4.5950 -3.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 6.3860 -2.8650 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 6.8130 -4.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 7.7690 -4.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 8.0050 -5.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 7.2220 -6.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 6.1590 -5.5630 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 5.4730 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 6.6600 -0.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 4.8430 0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5370 5.8860 1.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6280 5.2560 2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5750 6.2960 3.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3010 5.5290 4.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3050 4.4830 4.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1090 4.5390 3.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -0.5740 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 0.8060 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 0.6230 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 1.2510 2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -0.1150 2.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 1.5110 3.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 3.0720 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 3.2860 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 2.7510 -1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4620 2.7910 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 6.2730 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 4.6800 -1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 6.8790 -2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2740 8.7660 -5.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9800 7.2260 -7.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1880 4.1400 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0940 4.2880 1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 6.6010 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0130 6.4660 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2110 4.5490 1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0150 7.1320 3.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2680 6.7030 2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6430 6.1900 4.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1840 5.0270 3.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9930 4.6870 5.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7660 3.4890 4.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7270 3.5380 3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2960 5.1090 4.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 1.2950 1.2140 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5440 1.0110 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 52 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 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 36 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 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 19 43 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 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END