IBS-ZINC02098724 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 0 0 0 0 0 0999 V2000 0.0020 1.5870 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 0.0800 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -0.6210 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5110 0.0500 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 -0.6810 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -2.0660 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 -2.7800 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -2.0130 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -2.7470 -0.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -2.1230 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 -2.7810 -0.3450 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 -0.6390 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 -0.0520 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 0.2250 -1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5710 0.9110 -1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 1.2530 -0.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2070 1.1180 -2.3980 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4950 1.7880 -2.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0650 1.6760 -3.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4120 2.3740 -4.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8040 3.0910 -3.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 -2.6090 -0.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7770 -1.5780 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1130 -0.3700 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 0.9000 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8310 1.1040 0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4890 2.3340 0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1300 3.3680 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1140 3.1750 -0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4550 1.9460 -0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 2.0020 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 2.0530 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 1.9170 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5700 1.1300 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -3.8600 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 -0.7290 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 0.8620 0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 0.8760 -1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 -0.7100 -1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7690 0.8060 -3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1690 1.3400 -1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3360 2.8340 -2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3660 2.1120 -4.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1850 0.6190 -4.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8200 -1.8630 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1220 0.3150 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2800 2.4860 1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6430 4.3250 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8390 3.9800 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 1.8110 -1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9730 2.1470 -5.1680 O 0 5 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 2 12 2 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 24 1 0 0 0 0 6 7 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 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 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 51 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 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 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 M CHG 1 51 -1 M END