IFLAB-ZINC04568867 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 1.8710 2.2460 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 3.1030 0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 3.8560 1.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 2.9890 3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 2.2640 2.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 3.6460 4.2890 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7720 3.1320 5.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5470 3.1520 4.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7950 1.7360 4.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0860 0.7080 3.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 0.9210 2.9310 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 -0.6730 4.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2870 -1.6790 3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6310 -3.0010 3.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1470 -3.3240 4.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3060 -2.3220 5.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9720 -0.9990 5.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7840 -2.6340 6.8120 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 5.1440 4.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7590 6.0840 3.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6370 7.4590 4.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7440 7.8740 5.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 6.9770 5.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 5.6160 5.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 7.5880 6.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 8.9760 6.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 9.1620 5.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8670 2.7900 -0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 1.2310 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9170 2.1810 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 2.1220 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 3.6710 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 4.8740 2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 3.8860 1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 2.4050 4.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 3.9910 3.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 2.2170 2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 1.2300 2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 3.6950 4.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 3.3340 2.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5640 1.5180 4.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8830 -1.4390 2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 -3.7770 2.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4180 -4.3480 4.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0890 -0.2650 6.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4590 5.7580 3.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2230 8.1790 3.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 4.9420 6.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 9.4160 7.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 9.5000 6.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 2.9560 1.2930 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 3.1380 3.2010 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4640 2.1570 2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 51 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 51 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 52 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 51 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 6 52 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 2 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 45 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 27 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 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END