PUBCHEM-ZINC00675475 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 -0.0730 1.6410 -0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 0.1910 -0.1030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -0.3620 1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -0.5070 1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 -1.6820 1.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2830 -1.8150 2.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8530 -0.7740 2.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 0.4000 3.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 0.5320 2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -0.8220 -1.4120 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 -2.0810 -0.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 -0.1090 -2.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 -1.0580 -1.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 -2.0970 -1.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7360 -2.2850 -1.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3240 -1.4290 -2.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 -0.3880 -3.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 -0.2080 -2.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6580 -1.6170 -3.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 -2.8610 -3.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4530 -3.8250 -2.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6100 -3.0530 -3.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1450 -4.3400 -3.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4880 -4.5120 -3.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3030 -3.4130 -3.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7780 -2.1340 -3.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4360 -1.9480 -3.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7430 -3.6050 -4.1820 N 0 3 0 0 0 0 0 0 0 0 0 0 12.2070 -4.7290 -4.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4630 -2.6390 -4.3600 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9330 2.0510 -0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 1.8540 -1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 2.0950 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 -1.3390 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 0.3080 1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 -2.4950 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8330 -2.7320 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8490 -0.8770 3.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 1.2140 3.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 1.4480 2.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 -2.7610 -0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3080 -3.0960 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0410 0.2790 -3.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 0.5990 -3.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2120 -0.8510 -3.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5100 -5.2000 -3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9040 -5.5080 -3.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4200 -1.2800 -3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0270 -0.9500 -3.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 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 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 49 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