PUBCHEM-ZINC05791195 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 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 -1.4330 -0.5340 0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -2.0580 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -2.6170 0.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 -0.1620 1.2730 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -0.7860 2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6790 1.0800 1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 2.0400 0.4300 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 1.9710 -0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 3.1110 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 2.7740 2.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2900 1.5160 2.4760 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4500 0.7710 3.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4870 3.7530 3.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8160 3.5030 4.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7960 4.9420 2.4760 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 5.2220 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7310 6.3040 0.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7560 4.3460 0.4500 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3910 4.7120 -0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5350 5.9390 3.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5620 6.8220 3.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0870 7.9760 3.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 8.7870 4.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 8.4430 5.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2530 7.2870 5.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1480 6.4810 5.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 9.2350 6.0080 F 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 0.5120 -0.3560 -0.8950 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 -2.4310 -2.4430 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -2.3320 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 -3.5820 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 0.9760 4.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3740 1.0780 4.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4920 -0.2970 3.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1870 4.4110 -1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 5.7910 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 4.2070 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1400 6.5480 2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1820 5.4340 3.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4140 8.2440 2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 9.6880 3.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 7.0180 6.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5230 5.5810 5.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 M CHG 1 14 1 M END