PUBCHEM-ZINC05157264 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 -0.3260 1.7230 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 0.2240 0.1940 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0990 0.0080 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 -0.1720 -0.7420 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6230 -0.2360 -1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 0.9960 -0.6170 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6350 0.8600 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 2.1640 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 3.3440 -0.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 1.1720 -1.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0990 2.0000 -1.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0260 2.0890 -2.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 1.6930 -3.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.5180 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -2.7190 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -4.0430 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 -4.1060 0.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -5.2820 -0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 -6.5730 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 -7.7930 -0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 -9.0880 -0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -10.3640 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 -10.2170 -1.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -0.4630 -0.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 -0.2960 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 1.9580 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 2.2090 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 0.1890 -2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 1.6410 -2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8350 3.0240 -1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 1.5650 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 -1.6590 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 -1.4960 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -2.6950 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -2.7040 -1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 -5.3050 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -5.1780 -1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 -6.5330 -1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 -6.6680 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 -7.8290 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -7.6930 -2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 -9.0510 -1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 -9.1870 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 2.5550 -2.6240 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3220 -11.4270 -1.0280 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 24 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 44 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 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 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 24 25 1 0 0 0 0 M CHG 1 44 -1 M CHG 1 45 -1 M END