PUBCHEM-ZINC05725083 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 42 0 0 1 0 0 0 0 0999 V2000 0.0340 1.5370 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 0.0300 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -0.6330 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -2.1470 0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -2.6760 0.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 2.1850 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 3.6890 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6560 4.2930 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 5.6430 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 6.4620 -0.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3350 6.0730 -0.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7920 5.8050 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0790 5.4090 1.1500 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5430 5.6320 2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5450 5.8850 1.2490 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5640 6.9760 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3030 5.2480 2.4240 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4850 4.1830 2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6520 5.9250 2.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2080 5.3400 3.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0830 5.7480 3.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 5.3270 3.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1970 5.1770 4.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2400 5.5450 0.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9650 4.6360 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0790 3.9760 0.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3170 3.5960 1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3720 7.4960 0.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 1.7270 -0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 1.9930 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -0.4220 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -0.1560 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 -0.1840 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 -0.4490 -0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 1.9890 1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0990 1.7290 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 3.9110 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 4.1720 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 3.7110 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3390 5.7740 1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5290 6.9960 2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 7.8310 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 -2.6890 0.3000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 43 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 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 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 28 42 1 0 0 0 0 M CHG 1 43 -1 M END