PUBCHEM-ZINC04661295 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 0.0800 1.3820 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -0.0890 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -0.8050 1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -2.1330 0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -2.1670 -0.7030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -0.9050 -1.2230 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -3.3140 -1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 -3.0960 -2.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -4.1890 -3.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 -5.4710 -3.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 -5.6080 -1.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -4.5700 -1.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -3.2800 1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -2.8020 2.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -1.4650 3.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 -1.2930 4.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 -0.2100 5.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -0.0670 6.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -1.0710 7.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -0.9140 9.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 0.2520 9.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 1.2620 8.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.1230 7.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 2.2520 6.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 2.0740 5.1000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4820 -0.3450 2.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 0.8350 2.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 1.8070 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 1.6530 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 1.8460 0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 -2.0960 -3.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -4.0340 -4.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -6.3390 -3.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 -6.5870 -1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -3.6560 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -4.1010 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 -3.5860 3.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 -2.6920 2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -2.1640 5.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 0.6740 4.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 -1.9950 7.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -1.7060 9.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 0.3790 10.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 2.1760 9.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8950 3.2810 6.8590 O 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 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 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 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 45 2 0 0 0 0 26 27 2 0 0 0 0 M CHG 1 25 -1 M END