IFLAB-ZINC04248694 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -0.0480 1.5020 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -0.7040 -0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 -2.0850 -0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -2.7720 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -2.0670 0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -0.6850 0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 0.1980 2.0940 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.1710 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -4.8400 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -4.2320 -2.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -6.3450 -1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -6.9430 -2.8870 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 -8.6780 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 -9.2620 -1.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 -10.5930 -1.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 -10.8550 -2.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 -9.6420 -3.5520 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 -9.4390 -4.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 -9.7720 -5.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 -9.5720 -7.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 -9.0370 -7.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -8.7030 -6.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -8.8960 -5.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 -8.5640 -4.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 -8.0120 -5.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 -8.8420 -9.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -9.2090 -9.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 1.8470 0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 1.8820 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 1.8680 -1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 -0.1700 -1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 -2.6300 -1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -2.5980 1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -4.6580 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -6.7630 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -6.6540 -0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -11.3280 -0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 -11.8300 -3.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 -10.1890 -5.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 -9.8330 -7.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 -8.2870 -7.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 -7.7920 -5.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 -8.7310 -6.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -7.0940 -6.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 -8.6330 -9.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 -9.0020 -10.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 -10.2730 -9.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 35 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 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 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 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 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 42 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 M END