PUBCHEM-ZINC05361694 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 0 0 0 0 0 0999 V2000 1.2810 2.3530 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 0.9520 0.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 0.1440 1.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 0.6890 2.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 -0.1260 3.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 -1.4880 3.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 -2.0560 2.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -1.2280 1.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -1.7650 0.8300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -2.1630 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 -3.5070 2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -4.3000 3.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -5.7020 3.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 -6.1920 2.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 -6.5690 4.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 -7.0850 5.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6560 -7.8940 6.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0130 -8.1950 6.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7570 -7.6820 5.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 -6.8790 4.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -6.3390 3.3710 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1540 -6.5150 3.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3980 -5.7190 2.4790 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6090 -8.9920 7.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0020 -9.2590 7.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9310 -8.3980 7.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -8.0480 7.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 2.5270 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 2.8810 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 2.7180 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 1.7560 2.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 0.3080 4.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 -2.1190 4.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 -1.2980 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -2.9210 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -2.5750 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -3.9410 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -3.8660 4.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -6.8510 5.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8080 -7.9170 5.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1590 -9.7550 6.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5570 -8.3220 7.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3520 -9.9060 8.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -8.3990 6.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -8.5150 8.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -6.9650 7.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 2 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END