PUBCHEM-ZINC05944149 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 48 0 0 0 0 0 0 0 0999 V2000 0.0550 1.2950 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -0.0870 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 -0.7550 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 -0.0370 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 1.3490 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 2.0140 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7410 2.0750 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6630 1.5160 0.9760 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7940 3.3510 -0.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9420 4.2180 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 5.6810 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7280 6.6220 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3030 8.0780 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 9.1100 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5740 8.6600 0.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 -2.2190 -0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 -2.6850 -0.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -2.9600 0.1420 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -4.3950 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 -4.8560 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 -6.3670 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 -6.8070 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0140 -8.3090 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0110 -9.0260 -0.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 1.8140 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -0.6210 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 -0.5560 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 3.0840 0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 3.7030 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3760 4.0290 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6860 3.9400 -0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0870 5.8380 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 5.9220 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1730 6.4720 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5030 6.3780 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8510 8.2190 -1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5350 8.3190 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 -2.5110 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -4.6520 -1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 -4.8670 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 -4.5680 1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 -4.3360 -0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -6.6540 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 -6.8840 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1180 -6.5090 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3880 -6.2920 -0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0480 10.3070 -0.0900 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.2210 -8.6480 0.1230 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 47 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 M CHG 1 47 -1 M CHG 1 48 -1 M END