IBS-ZINC02051503 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 0 0 0 0 0 0999 V2000 -0.3080 1.1810 -0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -0.1310 -0.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -0.5740 0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -1.8550 0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -2.4310 1.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 -1.7330 3.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 -0.4490 3.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 0.1270 2.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 -2.3370 4.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9670 -3.3410 5.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 -3.9190 6.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 -3.5310 6.6020 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 -2.5720 5.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9260 -1.9460 4.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6850 -0.9420 4.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3110 -0.1330 3.5490 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0410 -2.1370 6.6070 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3180 -3.5460 7.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6800 -3.3940 8.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9790 -4.1110 10.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1100 -5.1860 11.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4100 -6.5510 10.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 -6.9190 9.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2520 -5.8370 8.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -4.9730 6.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 -5.0060 8.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 -5.9970 9.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -6.9810 8.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -6.9760 7.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 -5.9830 6.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 1.9310 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 1.3850 -1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 1.2550 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -2.4100 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 -3.4290 1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 0.1210 4.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 1.1230 2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -3.6440 4.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -3.5670 8.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 -4.4700 7.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5110 -3.4190 7.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7170 -2.4530 8.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6650 -3.1640 10.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9150 -3.9630 9.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9060 -4.9110 12.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1810 -5.2400 12.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4100 -6.5400 10.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4220 -7.3130 11.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6590 -7.8670 9.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -7.0780 10.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1850 -5.7040 8.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4430 -6.0870 8.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 -4.2440 8.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -5.9960 10.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -7.7520 9.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -7.7470 6.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -6.0230 5.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9170 -4.5140 9.4100 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0460 -4.6400 9.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 3 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 58 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 58 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 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 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 58 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 28 29 2 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END