PUBCHEM-ZINC05157124 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 1 0 0 0 0 0999 V2000 -0.0240 1.3580 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -0.1400 -0.0860 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1240 -0.6420 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 0.7220 -0.0760 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9230 0.7420 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 0.8530 -1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 -0.2170 -1.9310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2190 -0.9930 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 -1.6380 1.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6840 -2.2940 0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9710 -2.4200 2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 -1.9650 2.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 1.8850 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 1.8420 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 -1.7800 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 -0.4080 2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 2.0290 -1.7040 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2000 -3.3110 2.7090 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.6660 -0.5740 0.8450 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.1980 -0.6480 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 0.3800 1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 -0.8540 1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 17 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 M CHG 1 17 -1 M CHG 1 18 -1 M CHG 1 19 1 M END