IBS-ZINC02404988 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 1.4160 -0.5020 -2.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -1.4690 -1.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5700 -1.8950 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7540 -1.3920 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9670 -1.8270 -0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 -2.7620 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8260 -3.2670 0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 -2.8310 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 -3.3230 0.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 -4.3220 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 -4.9020 -0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -5.8730 -1.5420 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 -6.2950 -1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -5.7720 -0.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -4.7950 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 -4.2140 1.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -2.8300 1.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 -2.2920 3.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 -3.1260 4.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 -4.5030 3.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 -5.0530 2.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 -6.4010 2.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 -2.5890 5.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 -1.1630 5.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7370 -0.7540 6.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0170 -0.5530 7.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 -0.1780 8.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0390 -0.0040 8.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7600 -0.2050 7.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1080 -0.5750 6.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7370 0.3960 10.0190 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.1020 0.5730 11.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9450 0.5500 10.0170 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0480 -7.3140 -1.8260 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 0.3960 -1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 -0.9150 -3.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -0.2500 -2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7290 -0.6620 -1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8880 -1.4350 -1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9520 -3.0980 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8560 -3.9970 1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -4.5660 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -2.1790 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 -1.2200 3.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6780 -5.1470 4.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 -6.7850 3.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 -0.7570 5.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5710 -0.7780 4.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 -0.6880 7.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1050 -0.0210 9.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8310 -0.0690 7.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6700 -0.7290 5.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 -7.7080 -2.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -7.6340 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 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 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 7 2 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 9 10 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 42 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 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 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 34 53 1 0 0 0 0 34 54 1 0 0 0 0 M CHG 1 31 1 M CHG 1 33 -1 M END