IBS-ZINC05163998 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 0.8420 -1.8550 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 -2.0490 0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 -1.8100 1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 -2.1280 0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2130 -2.0860 0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0560 -2.4580 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 -2.8800 -1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 -2.9300 -1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -2.5540 -0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 -2.4890 -0.5150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -2.7220 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 -1.3090 2.8890 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6960 -1.4640 3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 0.1840 2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 0.8540 4.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9430 1.2400 6.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1740 2.5450 6.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 2.3600 5.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 1.9420 4.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 2.9040 7.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 4.2490 8.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 5.4000 8.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 6.6340 8.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 6.7160 8.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 5.5640 8.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 4.3310 8.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -2.0250 3.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -2.7770 1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -1.5970 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -1.0500 1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 -1.7590 1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1240 -2.4250 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2290 -3.1720 -2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 -3.2600 -2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 0.3330 2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 0.7230 2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 -0.0820 4.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3290 1.6390 4.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9850 1.3790 6.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 0.4490 6.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 3.3450 5.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 3.2990 6.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 1.5870 6.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 2.7220 3.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 1.7950 4.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 2.9430 8.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 2.1480 8.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 5.3360 7.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 7.5330 8.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 7.6800 8.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 5.6290 8.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 3.4310 8.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -1.9330 3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 0.6880 4.2870 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 54 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 M END