PUBCHEM-ZINC05592512 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -0.1850 1.5370 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 0.0540 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.7560 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -2.3950 0.7280 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -1.9480 -0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -0.6450 -1.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -2.9450 -2.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -4.3320 -1.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -5.2290 -2.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -4.7640 -4.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -3.3850 -4.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -2.4910 -3.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -5.7310 -5.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -6.0290 -5.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -6.8970 -6.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 -7.1520 -7.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 -8.0220 -8.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 -8.6500 -8.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 -8.3970 -8.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -7.5240 -7.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3820 -9.4770 -9.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 -10.1410 -10.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -0.3020 2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 0.9490 2.7830 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6790 2.0030 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 1.8720 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 1.8960 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -4.7510 -0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -6.2970 -2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -2.9890 -5.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -1.4230 -3.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -5.2720 -6.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -6.6420 -5.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3810 -6.6680 -6.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9710 -8.2100 -8.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 -8.8620 -9.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -7.3580 -7.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 -9.4240 -11.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -10.8090 -10.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -10.7570 -11.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -1.1870 3.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 2 0 0 0 0 M CHG 1 24 -1 M END