PUBCHEM-ZINC05714273 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3750 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 1.2240 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 0.0440 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.4220 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 2.1920 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7170 1.6090 -0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 3.4100 -0.0140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2530 -2.1550 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -2.8520 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -4.3150 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 -4.9030 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -5.0120 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -6.4770 -0.0210 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1460 -6.8160 -0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 -7.0030 -0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4960 -8.4330 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 -8.3910 1.5680 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 -6.9770 1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -6.4690 2.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9010 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3670 -0.4740 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 -2.6760 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -2.3300 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -4.5440 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 -6.3720 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 -7.0210 -1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5580 -8.6790 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 -9.1510 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END