PUBCHEM-ZINC05498541 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 1 0 0 0 0 0999 V2000 -0.0820 -1.1320 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 0.0590 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 1.5160 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 2.1350 0.0600 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 3.8870 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 4.2880 -0.3860 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 5.6110 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 6.5130 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 5.9730 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 4.6730 0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0350 7.0490 -0.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 8.1720 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 7.8860 -0.5140 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4570 7.0000 0.2380 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8040 6.0020 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 7.2720 1.6910 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9270 6.3040 2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3810 7.6880 1.4250 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0250 6.8000 1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3700 8.3340 0.0360 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2030 7.9450 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1570 7.9170 -0.6410 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4200 9.8600 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4800 10.3120 -1.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 9.8010 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8410 8.5530 2.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9590 8.8300 2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3140 8.3060 2.2720 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4120 6.0120 -0.8150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -2.1880 0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 1.7670 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 2.0000 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 9.1640 -0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5260 10.3050 0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3070 10.2430 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 5.3150 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 6.9990 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 29 36 1 0 0 0 0 29 37 1 0 0 0 0 M CHG 1 28 -1 M END