PUBCHEM-ZINC05592530 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 0 0 0 0 0 0999 V2000 -0.2870 1.4960 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 0.0160 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -0.7890 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -2.4270 0.6970 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -1.9850 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -0.6850 -1.1760 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -2.9840 -2.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -4.3700 -1.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -5.2690 -2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -4.8060 -4.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -3.4280 -4.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -2.5330 -3.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -5.7750 -5.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 -6.0660 -5.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -6.9300 -6.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -7.5480 -7.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 -8.4240 -8.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 -8.6930 -8.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 -8.0780 -8.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6740 -7.1860 -7.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 -6.5290 -6.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2470 -6.9520 -6.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7980 -6.9310 -4.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7890 -4.9900 -6.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 -9.5270 -9.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -10.1770 -10.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -0.3330 2.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 0.9170 2.7450 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5700 1.9830 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 1.8280 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 1.8370 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -4.7870 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -6.3360 -2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -3.0350 -5.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -1.4650 -3.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -5.3170 -6.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -6.6870 -5.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -7.3690 -7.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -8.8750 -9.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9450 -8.3230 -8.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4030 -8.0330 -6.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0430 -6.4650 -6.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3970 -6.6700 -7.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9180 -6.5440 -4.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6710 -6.5450 -4.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7930 -8.0220 -4.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7770 -4.6880 -7.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6620 -4.5220 -5.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9090 -4.5500 -5.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 -9.4500 -11.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 -10.8360 -10.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 -10.7990 -11.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -1.2140 3.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 27 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 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 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 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 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 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 2 0 0 0 0 M CHG 1 28 -1 M END