IFLAB-ZINC04554344 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 1 0 0 0 0 0999 V2000 0.9730 1.6480 -0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 0.1550 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -0.4780 0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -1.8480 1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -2.5850 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -1.9530 -1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -0.5820 -1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -2.8930 -2.8250 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -3.7740 -2.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -1.9640 -3.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 -3.8450 -3.0870 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 -5.2990 -2.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 -5.7200 -1.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 -5.2240 -2.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7810 -3.6960 -2.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 -3.2520 -3.5290 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9040 -3.5960 -4.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 -1.7270 -3.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8850 -1.1130 -3.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7380 0.3410 -4.0770 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7860 1.0970 -4.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8510 0.5740 -4.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6360 2.5800 -4.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 3.1030 -4.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6840 3.3360 -4.9560 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5370 4.7900 -5.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4820 5.5260 -6.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6650 5.6580 -4.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -4.0790 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 1.8790 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 2.0340 -1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 2.1120 0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 0.0980 1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -2.3420 1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -0.0870 -2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -5.5620 -2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 -5.8060 -3.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 -5.2840 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -6.8060 -1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5990 -5.5430 -1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9600 -5.6400 -3.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5930 -3.2790 -1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7450 -3.3420 -2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -1.4160 -4.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 -1.3880 -2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6600 -1.3460 -3.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1650 -1.5230 -4.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 0.7590 -3.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5350 2.9180 -5.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 5.1670 -4.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2120 4.9280 -6.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0840 6.3880 -6.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3890 6.6070 -4.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5170 5.1470 -4.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -4.3070 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -4.5350 -1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -4.4750 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 8 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 16 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 M END