PUBCHEM-ZINC05974177 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 49 0 0 0 0 0 0 0 0999 V2000 0.0260 1.3330 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -0.0650 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -0.7360 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4340 -0.0310 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 1.3680 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 2.0710 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 3.5380 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 4.3800 0.1720 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 4.0980 0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 5.6780 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 6.9020 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 8.0790 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 7.9820 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 6.7370 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 5.5700 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 4.2540 -0.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 9.3720 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 10.6010 -0.0870 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 10.7610 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7610 11.5800 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 12.9740 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9090 13.6820 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1050 12.9870 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1330 11.5890 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 10.8820 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 9.5340 0.3120 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 15.1500 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7650 15.7380 -0.8280 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3860 15.1820 -1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 16.7440 -0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 -2.0980 0.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -2.4510 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 1.8530 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -0.6010 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3720 -0.5680 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3770 1.8790 0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5540 6.9470 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 8.8660 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 6.6710 -0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 13.4780 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0390 13.5290 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0570 11.0560 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0810 15.8510 0.7360 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4580 15.3820 1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0540 16.8610 0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 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 17 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 17 26 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 31 32 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 M CHG 1 28 1 M END