PUBCHEM-ZINC01003797 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -1.7420 3.5990 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 2.6890 2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 2.2220 3.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 1.0750 3.6160 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 1.3960 2.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 1.8590 1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 0.1680 5.0610 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -0.9050 4.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 -0.1020 5.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 1.3300 6.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5870 1.4540 6.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2310 2.3960 6.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5040 3.1900 7.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 3.0310 7.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 2.1010 7.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0530 4.1950 8.6210 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3770 4.4960 8.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6900 3.4610 8.9180 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.4370 5.8280 9.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4680 6.5280 10.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5410 6.0910 10.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1240 7.9540 10.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0750 9.0410 9.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7540 8.8810 9.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 2.8260 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 4.4790 0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6790 3.8860 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 3.5860 2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 1.9020 1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 1.9190 4.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6610 3.0500 4.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0220 0.5090 2.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9530 2.1850 3.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 1.0720 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9020 2.1840 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1830 0.8400 5.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3030 2.4960 6.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 3.6240 8.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 1.9960 7.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 4.7820 9.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6010 6.3730 9.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6410 8.1160 11.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9720 8.7520 9.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2090 9.8920 10.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9940 9.6320 9.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7750 8.5140 8.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 3.0520 1.4980 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5560 3.8010 2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 47 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 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 6 47 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END