IBS-ZINC06760422 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 -0.9840 -2.7230 -1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -2.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -2.9000 1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 -0.6370 0.1090 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2520 -0.3750 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 0.0970 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 1.6190 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 3.7230 -2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2570 4.2440 -3.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2700 5.7510 -3.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 6.4610 -3.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 7.8580 -3.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 8.5660 -3.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3420 7.8600 -2.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3430 6.4600 -2.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3490 8.6280 -2.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4990 7.9600 -1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3180 9.9350 -3.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 10.6840 -3.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -0.1580 1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 0.3330 2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 0.6200 3.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4720 0.2930 2.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 -0.1730 1.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -3.8180 -1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 -2.4050 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -2.3790 -1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 -2.4770 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -2.6170 1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -2.6630 2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -3.9880 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 -0.1940 -2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0740 -0.2120 -1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 2.0030 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 1.9670 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 4.0400 -2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1120 4.0490 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 3.8710 -4.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2850 3.8660 -3.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 5.9360 -4.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 8.3630 -4.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1740 5.8980 -2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2440 7.3240 -0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2010 8.7220 -1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9980 7.3860 -2.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 10.4970 -4.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 11.7460 -3.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 10.4800 -3.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 0.4580 2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 1.0120 4.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5170 0.3290 3.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 2.2250 -2.1540 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1190 1.8760 -3.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5640 1.8880 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 7 52 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 8 52 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 M CHG 1 52 1 M END