PUBCHEM-ZINC05273937 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 26 0 0 1 0 0 0 0 0999 V2000 -0.0340 1.4250 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -0.0890 -0.0570 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5370 -0.5410 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -0.5360 1.3100 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1690 -0.3260 2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -2.0570 1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 -2.5550 0.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 -2.7950 1.6700 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -4.2660 1.6190 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1220 -4.5770 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 -4.9340 2.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -4.3220 3.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -3.3660 3.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 -4.7470 1.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 -3.8050 2.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 -0.5140 -0.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -1.4890 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 1.8380 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 1.6920 -1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 1.9150 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -2.3700 2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -6.0040 2.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 -4.8240 2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 -5.9800 1.7540 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8410 0.0810 1.6880 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 1.0930 1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 -0.2450 1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 25 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 21 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 16 17 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 24 -1 M END