IBS-ZINC04041035 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -0.1520 1.4710 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -0.0280 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -0.7520 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -2.1470 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -2.8460 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -2.1110 -1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -0.7170 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 -4.3660 -0.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1210 -4.6990 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 -4.9730 -0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -6.4850 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 -8.4880 -1.3170 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5290 -8.9380 -1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0840 -8.9050 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4050 -8.9110 -2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 -9.6260 -3.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 -10.0020 -4.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9880 -9.6640 -4.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5530 -8.9520 -3.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7690 -8.5750 -2.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -4.8640 -0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7310 -5.0310 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 -5.5500 -1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -5.6660 -2.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -5.2550 -1.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 1.8850 0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 1.8550 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 1.8280 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -0.2330 2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -2.6800 2.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -2.6190 -2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 -0.1700 -2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -4.5140 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 -4.7360 -1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -7.0100 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 -6.7370 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3140 -9.9770 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 -8.7190 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 -8.3650 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 -9.9030 -3.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 -10.5600 -5.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6000 -9.9580 -5.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6090 -8.6920 -3.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2440 -8.0190 -1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 -4.8010 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 -5.8050 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 -6.0040 -3.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 -6.9960 -1.3440 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.1720 -6.5260 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 -6.7280 -2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 48 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 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 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 M CHG 1 48 1 M END