PUBCHEM-ZINC05811126 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.4050 1.5790 0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 0.1640 0.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 -0.3340 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 0.5210 -1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 0.0130 -2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -1.3470 -2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 -2.2070 -1.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 -1.7060 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -2.5750 0.3280 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -3.3220 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 -4.2000 0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -4.3680 1.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -3.4910 0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 -6.0280 2.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 -7.1100 1.5180 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6590 -6.6440 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 -8.0530 2.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 -8.9930 1.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0730 -9.9080 2.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8760 -10.8510 1.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5650 -11.7810 2.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4550 -11.7720 4.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6560 -10.8340 4.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9610 -9.9060 3.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1950 -12.7690 4.8530 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.9000 -13.5960 4.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1000 -12.7620 6.0670 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9940 -7.8530 0.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 1.8980 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 2.0760 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 1.8420 1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 1.5840 -1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 0.6820 -3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -1.7390 -3.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 -3.2690 -1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 -2.6220 -0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 -3.9510 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 -3.5690 1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 -4.7760 0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -5.0680 2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -3.7390 2.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 -4.1220 0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -2.9140 1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 -5.4680 2.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -6.4940 2.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 -8.5860 3.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2160 -7.4740 3.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9620 -10.8580 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1900 -12.5150 2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5730 -10.8290 5.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3330 -9.1760 4.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -8.2960 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -5.1160 1.3290 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 12 53 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 53 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 52 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END