PUBCHEM-ZINC05455273 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 -0.9330 0.1600 -2.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -0.5810 -2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -1.0100 -1.1810 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6070 -0.5110 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -2.4180 -1.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -3.0360 -1.8290 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2970 -2.9010 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 -2.1880 -3.4150 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -4.3790 -1.5230 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0590 -4.7760 -2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 -3.5240 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -3.7390 0.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 -5.4410 -0.9350 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 -5.9590 -1.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 -5.5930 -2.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 -7.0140 -0.8140 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6320 -7.5590 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 -6.3460 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 -6.6790 1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3810 -6.0630 2.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2640 -5.1170 1.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2180 -4.7870 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 -5.3980 -0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 -8.9110 -2.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 -0.7050 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 0.3200 -0.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 0.2710 -3.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 1.1100 -1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 0.3920 -3.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 -0.4180 -1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 -5.7890 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 -7.4240 1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4230 -6.3270 3.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9930 -4.6420 2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 -4.0580 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 -5.1210 -1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -8.4060 -2.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 -9.5970 -2.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -9.5160 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 1.2010 -2.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 -0.2520 -3.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 0.5550 -4.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9890 -7.9710 -1.7340 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4200 -7.4320 -2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 -1.4730 -1.8070 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 25 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 45 -1 M END