IBS-ZINC04337686 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -0.0510 1.2110 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -0.2980 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 -0.8740 1.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -2.2350 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -2.9650 1.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6700 -2.7240 1.4390 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2650 -2.2050 0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 -2.4240 2.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6300 -3.0120 3.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6600 -4.5010 2.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7050 -4.2200 1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2760 -6.1830 0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6480 -6.3610 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2680 -5.3490 -0.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0090 -7.6780 0.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1810 -8.1940 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3570 -7.5940 -1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8270 -6.2820 -1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0780 -6.0710 -1.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8770 -7.1460 -2.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4500 -8.4550 -2.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1970 -8.6460 -1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5630 -9.8210 -1.1370 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9380 -10.7460 -1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3450 -9.5740 -0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4270 -10.5930 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3440 -10.3520 0.4140 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9430 -11.8290 -0.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1040 -12.9120 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 1.6970 1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 1.5610 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 1.5260 2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -0.6010 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -0.6370 2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 -2.8340 3.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2700 -1.3420 3.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9750 -2.8440 4.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3290 -2.4850 2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0410 -5.0740 3.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6860 -4.8820 2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 -4.4150 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 -4.8040 1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1360 -6.8350 1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 -6.3910 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3590 -8.4030 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2430 -5.4100 -1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4230 -5.0560 -2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8440 -6.9660 -2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0740 -9.2950 -2.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6160 -13.8470 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1540 -12.8840 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9340 -12.8770 1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1130 -4.7330 1.3050 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7320 -4.2090 0.6560 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 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 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 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 53 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 12 53 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 25 2 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END