PUBCHEM-ZINC02921106 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.4720 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -1.8070 -1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -2.5590 -0.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -2.3520 -2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -2.6590 -3.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 -3.1410 -4.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 -3.2390 -4.1030 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 -2.6150 -2.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 -2.4050 -1.5320 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9880 -2.6980 -1.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3950 -3.1470 -2.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9270 -2.4750 -0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2820 -2.7780 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1530 -2.5660 0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6860 -2.0560 1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3450 -1.7540 1.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4640 -1.9550 0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -1.2080 2.9770 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6330 -1.0260 3.8970 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -0.9420 3.1160 O 0 5 0 0 0 0 0 0 0 0 0 0 9.5890 -2.8870 0.1800 N 0 3 0 0 0 0 0 0 0 0 0 0 10.0010 -3.3370 -0.8740 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3590 -2.7010 1.1060 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1600 -3.5420 -6.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -3.5560 -6.1300 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 -2.4380 -5.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -2.4630 -3.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 -4.5610 -6.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2030 -4.5530 -6.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -5.5730 -7.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -6.6210 -7.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 -7.6770 -8.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 -2.0470 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6470 -3.1760 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3730 -1.8930 2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4190 -1.7140 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 -2.8200 -6.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 -4.5350 -6.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -1.4950 -5.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -2.5430 -5.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 -3.2850 -3.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -1.5190 -3.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 -7.0860 -7.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 -6.1920 -8.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -8.4630 -8.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 -7.2120 -9.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -8.1060 -7.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 10 11 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 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 50 1 0 0 0 0 33 51 1 0 0 0 0 34 52 1 0 0 0 0 34 53 1 0 0 0 0 34 54 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 23 1 M CHG 1 25 -1 M END