PUBCHEM-ZINC05724508 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0240 -0.8380 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.1420 0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.1040 -0.6570 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.7640 -1.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -3.2170 -1.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -3.0400 -2.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -4.1380 -3.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -5.4140 -3.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -5.5950 -1.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.5000 -0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -6.5900 -4.0900 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0430 -6.4330 -5.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -7.7140 -3.6220 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0320 -0.3970 2.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 0.8690 2.8320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 1.2880 4.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 2.6040 4.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 3.1160 6.0960 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 3.5160 3.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -3.0300 1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -2.0430 -3.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -4.0010 -4.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -6.5930 -1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -4.6410 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -1.1280 3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 0.6320 4.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 3.2250 2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 4.4620 3.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END