PUBCHEM-ZINC04097127 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 1 0 0 0 0 0999 V2000 0.3530 1.7690 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 0.4220 -0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 -0.5560 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 -0.1190 0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0830 1.2220 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 2.1730 0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 1.5930 2.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 -0.9790 1.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -2.0040 -0.7330 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2810 -2.0500 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -2.6080 -0.4640 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 -3.7290 -1.4110 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2920 -4.3610 -1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 -4.5740 -0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -5.3670 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6110 -6.2500 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2710 -7.1340 1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 -8.0120 2.2680 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2350 -7.7880 3.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0790 -6.9140 4.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4020 -8.6920 3.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8680 -9.5430 2.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9720 -10.3760 2.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6240 -10.3610 3.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1740 -9.5010 4.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0810 -8.6670 4.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7300 -7.8330 5.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8120 -9.4620 6.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -3.1230 -2.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 -1.9570 -2.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 -2.7730 0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 2.5020 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 0.1410 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 3.2140 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 0.7460 2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 -1.8690 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -1.9060 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6430 -3.9380 -0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -5.2790 -1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -5.9910 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -4.6850 1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4800 -5.6240 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9070 -6.8850 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -7.7760 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -6.5230 2.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 -8.8110 1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4140 -9.5710 1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3280 -11.0360 1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4790 -11.0040 4.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0090 -7.2470 5.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3180 -8.7860 6.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 -3.5500 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -3.8570 -3.7790 O 0 5 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 31 52 1 0 0 0 0 M CHG 1 53 -1 M END