PUBCHEM-ZINC02797164 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -0.3980 1.5440 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 0.0640 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -0.5880 1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -1.9600 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -2.7000 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -2.0700 -1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -0.6920 -1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -0.0540 -2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 0.9960 -2.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -0.7140 -3.5840 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 -0.1800 -4.8640 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -0.7310 -5.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 -1.6870 -5.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 0.0330 -7.1610 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1610 0.5710 -7.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2530 1.0660 -7.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 1.7030 -8.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 1.1880 -9.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -0.0920 -9.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 -0.8970 -8.3630 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2060 -1.4640 -8.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -1.9020 -8.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 -1.6790 -7.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 1.8010 -10.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4350 2.9220 -8.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 2.0890 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 1.7870 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 1.9020 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 -0.0290 2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.4490 2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -3.7660 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -2.6590 -2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 -1.5700 -3.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 0.5950 -5.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 0.6070 -6.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 1.8530 -6.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 -0.7320 -10.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 0.1730 -9.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6290 2.8340 -10.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 1.8190 -11.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9930 1.2100 -11.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 3.7620 -7.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8680 3.2320 -9.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2800 2.7200 -7.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 -2.8300 -9.3430 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 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 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M CHG 1 45 -1 M END