PUBCHEM-ZINC06174372 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.6910 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0780 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.7560 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -3.9720 -0.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.0040 -1.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -2.4380 -2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6620 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.0210 -2.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -2.5040 2.4680 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0540 -1.4610 3.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -0.3190 2.5070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 0.5910 2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -1.5200 5.0220 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 0.2510 5.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -3.9030 2.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 -4.3710 3.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 -6.1000 3.5750 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 -6.3700 3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8580 -7.4810 3.9900 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2050 -7.5320 3.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0450 -8.6160 4.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4090 -8.4790 4.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9840 -7.2750 3.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1840 -6.2030 3.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7970 -6.3240 3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5190 -5.1660 3.2590 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 0.7240 4.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 0.7000 4.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 0.3940 6.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 -3.9920 3.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -4.5200 2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 -4.2820 2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 -3.7540 3.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6120 -9.5600 4.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0410 -9.3170 4.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0590 -7.1770 3.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6320 -5.2660 3.2780 H 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 1 0 0 0 0 2 9 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 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 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 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 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 11 1 M END