PUBCHEM-ZINC05551900 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 3 0 0 0 0 0 0 0 0 0 0 0.5370 -0.4140 1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 -0.4360 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 -1.9590 0.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4220 -2.3960 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 -2.3580 -0.0330 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8300 -2.3960 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 -3.7710 -0.6610 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1620 -3.9060 -1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 -3.8080 -1.3820 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1350 -4.0100 -2.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -2.5180 -1.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 -4.8450 -0.7900 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 -4.6640 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -5.7980 0.4740 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 -6.7770 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 -6.1780 -1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 -6.9350 -1.9690 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5910 -8.2290 -2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -8.8360 -1.3020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -8.1600 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 -8.8060 0.3560 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 -4.7730 0.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 -1.4610 -0.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -0.0090 2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -1.4970 1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 0.0170 1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 -0.0280 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -0.0190 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -3.7180 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 -8.8150 -2.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 -8.3030 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -9.7610 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2200 -4.7570 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0940 -1.6700 -0.9200 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 4 1 0 0 0 0 3 29 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 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 17 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 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 M CHG 1 2 1 M END