PUBCHEM-ZINC06383503 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 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 3 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7870 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -2.0700 0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.0620 -0.6830 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -2.8380 -1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.7580 -1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -0.1800 -2.7370 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -1.7600 -3.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -2.3790 -3.5260 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 -2.1170 -4.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -1.3710 -5.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 -2.7690 -4.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6260 -2.5630 -5.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8360 -3.1970 -5.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0360 -4.0370 -3.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0330 -4.2530 -3.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7970 -3.6220 -3.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7860 -3.8130 -2.3280 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -3.2440 -2.4680 N 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 0.0280 -0.4440 2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -2.9420 1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 -1.5900 -4.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -2.4220 -3.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4760 -1.9110 -6.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6350 -3.0400 -5.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9900 -4.5260 -3.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2010 -4.9080 -2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 24 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 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 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 17 31 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 M CHG 1 2 1 M END