PUBCHEM-ZINC06491743 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 -2.5920 0.2500 -4.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 1.1300 -3.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 2.4650 -3.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 3.2830 -2.6250 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 2.7190 -1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 1.3380 -1.3690 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 0.4830 -2.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6260 -0.7360 -2.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 3.5040 0.0130 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 4.7720 -2.8650 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4270 5.2890 -1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 5.2220 -4.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 5.0160 -3.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 4.7900 -2.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 5.1490 -4.9250 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 5.0370 -4.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 5.3540 -5.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 5.2940 -3.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 5.5530 -2.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7720 -0.3990 -5.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 -0.3810 -4.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 0.8300 -5.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 2.9700 -4.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 0.9040 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 4.7150 -4.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 6.2970 -4.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 5.3960 -4.3040 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 18 19 2 0 0 0 0 18 27 1 0 0 0 0 M CHG 1 27 -1 M END