PUBCHEM-ZINC00238587 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 1.3150 1.0880 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -0.3340 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 -0.4370 1.5410 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -0.1470 2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 -1.3620 2.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -0.7980 2.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 -1.0120 1.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 -0.9370 3.5220 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1920 -0.0480 4.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 -2.1720 4.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 -2.3390 5.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5770 -2.4570 5.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0660 -1.0940 3.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6800 -1.2660 5.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8330 -1.1740 7.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8720 -2.3260 7.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0120 -2.2410 9.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1150 -1.0040 9.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0780 0.1480 9.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9410 0.0630 7.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2640 -0.9130 11.3380 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2970 -1.9280 12.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3550 0.1770 11.8750 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3520 1.3160 -0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 1.1640 -1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 1.7950 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 -0.5630 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 -1.0410 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 0.0740 3.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 0.7130 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 -1.3630 1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -2.2750 2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -1.3140 3.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -2.0440 3.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 -3.0550 3.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 -1.4730 6.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -3.2410 5.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 -2.5620 6.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9660 -3.3310 5.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4530 -1.9740 3.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6030 -0.2090 3.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1780 -0.4180 5.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1300 -2.1940 5.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7920 -3.2920 7.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0420 -3.1400 9.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1570 1.1140 9.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9160 0.9620 7.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 -1.2510 5.2790 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 33 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 10 1 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 48 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END