PUBCHEM-ZINC04691082 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.5300 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.9170 -1.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -4.9300 1.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -5.0430 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -4.6780 -1.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0360 -5.6270 -1.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8820 -6.7970 -1.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 -5.2330 -2.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5430 -6.4080 -3.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4120 -6.2280 -4.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0080 -7.3270 -5.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8900 -7.1470 -6.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1830 -5.8610 -6.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5830 -4.7600 -5.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7060 -4.9450 -4.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1320 -5.6650 -7.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4260 -4.3790 -8.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3090 -4.2020 -9.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9020 -5.2980 -9.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6140 -6.5760 -9.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7280 -6.7650 -8.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 -5.5960 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4980 -3.7410 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7570 -4.5950 -2.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 -4.6920 -3.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7800 -8.3230 -4.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3530 -8.0030 -6.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8080 -3.7620 -6.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2440 -4.0920 -4.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9640 -3.5230 -7.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5380 -3.2060 -9.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5930 -5.1550 -10.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0800 -7.4280 -9.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5000 -7.7640 -7.9560 H 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 M END