PUBCHEM-ZINC00627067 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 1 0 0 0 0 0999 V2000 0.9920 1.0560 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -0.4340 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 -1.1320 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 -2.5180 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 -3.2270 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 -2.5430 -1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -1.1410 -1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -0.5230 -2.6370 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 0.4320 -3.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 1.6540 -3.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 1.2120 -4.6640 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 0.3450 -3.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 -0.9040 -3.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 1.5700 -5.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 0.7250 -6.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 1.0640 -8.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 2.2710 -8.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 3.1370 -7.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 2.7900 -6.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 2.6740 -10.1060 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 2.0310 -11.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 1.0290 -11.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 2.6420 -12.5540 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3820 2.5570 -12.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 1.7910 -13.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 2.1170 -14.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3350 3.2250 -13.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 4.2860 -12.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 4.1160 -12.7960 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7580 4.3670 -13.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 5.2030 -11.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 4.7660 -10.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 1.5740 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 1.3880 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 1.3620 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -0.5910 1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -3.0420 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 -4.3080 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 -3.1140 -2.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 0.7700 -2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 -0.0870 -4.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 2.2850 -3.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 2.2480 -4.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5930 0.9140 -3.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0190 0.0480 -4.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 -1.5510 -4.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -1.4690 -2.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 -0.2490 -6.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 0.3480 -8.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 4.0950 -8.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 3.5150 -5.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 3.5910 -10.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 1.9650 -14.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 0.7210 -13.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2810 1.4000 -14.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3840 3.3920 -13.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9030 5.2650 -13.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 4.2660 -11.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 6.3920 -12.2870 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 52 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 2 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 31 59 1 0 0 0 0 M CHG 1 59 -1 M END