PUBCHEM-ZINC05158409 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 44 0 0 1 0 0 0 0 0999 V2000 2.4850 -2.0480 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9150 -1.8310 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2200 -1.8990 -1.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 -1.5360 -2.3110 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4080 -1.5480 -3.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -2.5820 -2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -0.5310 -1.3220 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0660 -0.3710 -0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 -0.2110 -2.2140 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7120 0.0140 -3.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 1.0130 -1.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 1.2810 -2.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9700 1.2020 -3.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2220 1.5870 -1.9840 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 1.7840 -2.6240 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4300 1.6340 -3.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 3.2000 -2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3350 4.2680 -3.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6680 5.6530 -2.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6800 6.2170 -3.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5740 0.7590 -2.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7400 0.7670 -0.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 0.1370 -1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2230 -0.7700 -2.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0150 -1.1510 0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 -2.8840 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3340 -2.2870 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9890 -2.0750 -0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 -1.7290 -2.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -2.6450 -3.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -3.5810 -2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 1.9070 -1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 0.8880 -0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 1.6550 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9740 3.4250 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1340 3.2520 -2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6260 4.2070 -4.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2490 4.1270 -3.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 -2.0500 -1.5100 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2530 -2.0340 -1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -2.5350 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8680 6.0670 -1.7130 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1090 0.0110 -2.9490 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5620 1.3730 -1.6290 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 6 30 1 0 0 0 0 6 31 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 23 1 0 0 0 0 7 39 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 M CHG 1 39 1 M CHG 1 42 -1 M CHG 1 43 -1 M CHG 1 44 -1 M END