IBS-ZINC06669740 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 -0.0210 1.5380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 0.0080 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -0.5000 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -0.0120 2.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 0.3980 3.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 -0.0600 2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 0.1240 3.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 0.0850 3.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2500 -0.1370 2.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4710 -0.3250 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 -0.2920 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 -0.4880 0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6030 -0.1700 2.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3480 0.0290 3.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8220 -0.0410 2.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1980 -0.2420 1.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7240 0.1200 3.9510 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.0850 0.1600 3.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0030 0.4320 4.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3510 0.4700 4.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7360 0.2330 3.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7710 -0.0300 2.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4920 -0.0540 2.4120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 0.3370 4.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -0.4840 -1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 1.9170 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 1.8990 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 1.8890 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -1.5900 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 -0.0990 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2750 0.2260 4.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9450 -0.4970 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0890 -0.7460 3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1100 1.0080 3.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4260 0.2070 4.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6680 0.6110 5.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0870 0.6780 5.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7810 0.2550 2.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0660 -0.2150 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 1.2700 4.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 -0.1060 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.5740 -1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -0.1240 -2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END