PUBCHEM-ZINC04095558 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 0.7990 2.2830 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 0.5400 -0.4850 S 0 3 0 0 0 0 0 0 0 0 0 0 0.8950 -0.1000 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 0.1620 2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -0.4200 3.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 0.0460 -1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 -0.1180 -2.8620 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6860 -0.9680 -2.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -0.2390 -3.8760 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3470 0.4090 -3.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 0.2350 -5.1880 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5950 0.8080 -5.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 1.1990 -4.6640 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2580 0.9520 -5.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 1.0660 -3.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 2.6060 -4.9360 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1010 3.3220 -4.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 4.5860 -4.9870 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 4.6910 -5.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 3.4700 -5.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 3.2110 -5.9730 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 4.3170 -6.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 5.5630 -6.5780 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 5.7760 -6.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 7.0400 -6.1940 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -0.8310 -5.7640 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9590 -1.5810 -3.9980 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 -1.8380 -4.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 2.3850 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 2.8210 -1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 2.7490 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 -1.1800 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 0.3500 1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 1.2410 2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 -0.2720 1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -1.5080 3.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 0.0290 3.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 0.8160 -1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -0.8960 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 2.8740 -4.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 4.1920 -6.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 7.2170 -5.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 7.7650 -6.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 -0.1350 4.5640 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5640 -0.5240 5.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 -0.5550 4.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 0.8730 4.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 27 28 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 47 1 0 0 0 0 M CHG 1 2 1 M CHG 1 26 -1 M CHG 1 44 1 M END