PUBCHEM-ZINC02685130 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 38 0 0 0 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 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -0.7010 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -2.1450 -0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -0.7040 -2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 -0.5180 -2.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -1.1900 -3.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 -1.4010 -4.9100 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 -2.4820 -4.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 -0.1400 -5.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 -1.9660 -6.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -3.2330 -6.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 -3.6760 -7.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 -2.8520 -8.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 -1.5840 -7.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -1.1390 -6.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 0.2200 -6.3000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4520 0.9480 -6.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 0.6100 -5.3540 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7450 -3.3260 -9.5740 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5640 -4.4430 -10.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 -2.6000 -10.0700 O 0 5 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 -0.5230 -2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -0.0180 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -2.3230 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -2.8280 -1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4980 -2.3120 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -0.4610 -3.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.1450 -3.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -3.8770 -6.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 -4.6670 -8.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8960 -0.9400 -8.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M CHG 1 21 1 M CHG 1 23 -1 M END