PUBCHEM-ZINC02609836 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 -0.0220 1.5020 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -0.0050 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -0.7020 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -2.0840 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -2.7720 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.0790 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.6920 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.0080 -2.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.7820 -3.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 0.1410 -4.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 1.3420 -4.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -0.3690 -6.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 0.4820 -7.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 1.7460 -7.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 2.5830 -8.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 2.1640 -9.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 0.9060 -9.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 0.0620 -8.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 3.2360 -10.6890 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8050 2.8090 -11.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 4.5580 -10.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 1.7050 -12.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 1.3710 -13.1100 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 0.1460 -13.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -0.5880 -13.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 0.3960 -12.1140 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -2.8300 2.4650 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0940 -2.2250 3.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -4.0470 2.4600 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9970 1.8870 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 1.8590 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 1.8500 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -0.1680 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -3.8520 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.6170 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 -1.3920 -3.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 -1.4290 -3.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -1.3260 -6.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 2.0740 -6.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 3.5670 -8.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 0.5820 -10.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -0.9230 -8.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 -0.2300 -14.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -1.6090 -13.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 2.9410 -11.6930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 3.6330 -11.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 45 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END