NIH-ZINC04040749 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 65 0 0 1 0 0 0 0 0999 V2000 0.2570 0.7910 1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 -0.5230 1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -1.4620 1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -2.0950 0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 -3.0390 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9150 -3.4200 1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 -4.4110 0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 -5.0260 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 -4.6600 -1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 -3.6550 -1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3280 -5.3330 -2.7900 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6510 -4.8630 -3.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 -6.8190 -2.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 -7.4610 -2.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 -6.7240 -2.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -6.5460 -1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 -5.8100 -1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -5.2720 -2.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -5.4760 -3.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -6.2080 -3.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1720 -4.3470 -2.1900 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 -8.5420 -1.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1540 -7.4970 -3.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3330 -8.8380 -3.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1680 -6.5050 -3.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2310 -6.7950 -4.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6580 -5.2600 -3.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3500 -4.0170 -3.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9470 -3.4740 -5.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6730 -2.1450 -7.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7200 -1.1550 -7.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7110 0.0440 -6.7750 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0220 -0.2220 -5.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9970 -1.1700 -4.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 1.4110 1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 1.2790 1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -0.9620 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -2.2070 2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 -0.9170 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 -2.9720 2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5110 -4.7100 1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7940 -5.8010 -0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 -3.3490 -2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -6.9610 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -5.6590 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 -5.0750 -4.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 -6.3760 -4.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2330 -8.9640 -3.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4260 -4.2260 -3.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1470 -3.2880 -2.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9610 -2.9970 -5.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9200 -4.2900 -5.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7180 -3.0860 -7.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6650 -1.7200 -7.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4950 -0.8790 -8.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7250 -1.5920 -7.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0150 0.7340 -4.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0370 -0.6330 -5.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9890 -0.7420 -4.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2800 -1.4210 -3.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9450 -2.4630 -5.5790 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.8770 -2.9040 -5.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 2 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 13 14 1 0 0 0 0 13 23 2 0 0 0 0 14 15 1 0 0 0 0 14 22 2 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 61 1 M END