PUBCHEM-ZINC00749725 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 4.2360 1.4460 -1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2580 0.0660 -1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -0.6470 -0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 0.0160 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 1.3950 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2840 2.1210 -0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 3.5990 -0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0600 4.2290 -1.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 4.2480 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 5.6450 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 6.3670 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 7.7420 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 8.4180 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 7.6960 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5910 6.3030 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9220 8.4050 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9520 9.6170 0.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0710 7.7080 0.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3550 8.4120 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5320 7.7180 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4930 7.8260 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 9.8040 0.4000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 10.2550 1.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 11.7680 1.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 12.4680 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 11.9460 -0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 10.4280 -0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 -2.1270 -0.7850 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2010 -2.7140 -1.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5620 -2.7580 -0.1270 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9560 2.0020 -2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9940 -0.4580 -2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 -0.5470 0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 1.9120 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 3.7490 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 5.8470 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 8.2950 0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5090 5.7400 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0470 6.7410 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2960 9.4980 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3510 6.7380 -1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2470 8.3470 -1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1820 8.5260 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2860 6.9160 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 10.0130 1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 9.7520 2.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 12.1040 2.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0870 12.0090 1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 12.2590 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 13.5440 0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 12.4100 -1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0480 12.1900 -0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 10.0510 -1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 10.1850 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END