ANALYTICONDISCOVERY-ZINC05399894 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 75 0 0 1 0 0 0 0 0999 V2000 2.9110 -4.1090 -2.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 -3.6500 -1.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -4.2900 -1.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -5.2070 -2.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 -3.8780 -0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 -2.8240 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 -2.4400 0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -3.0960 0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -4.1460 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 -4.5350 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7600 -4.8060 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8070 -6.1480 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 -7.0570 -0.1160 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9960 -6.7760 -0.1910 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 -8.2350 -0.3090 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1970 -8.6000 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0750 -8.8900 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9510 -10.0280 0.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0430 -9.5740 0.1190 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.8120 -9.0510 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3730 -8.6770 -0.9640 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.9970 -7.8340 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0740 -9.5750 -2.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2100 -10.4590 -2.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6010 -10.7790 -0.6670 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.1290 -11.7040 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0560 -10.8620 -0.5140 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7000 -12.0780 -0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9840 -13.1560 -0.9520 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5620 -14.3370 -1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9350 -14.4420 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6630 -13.2880 -0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0140 -12.1340 -0.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.1360 -13.3470 -0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8520 -12.1890 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2210 -12.2450 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8900 -13.4590 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1730 -14.6170 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8060 -14.5610 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3630 -13.5190 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0340 -14.7310 -0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.4050 -14.7810 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.1130 -13.6310 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.4520 -12.4250 0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0810 -12.3640 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8160 -3.5100 -2.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1460 -5.1560 -2.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 -4.0050 -3.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.3100 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 -1.6250 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0530 -2.7920 1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 -5.3480 -1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5800 -4.2980 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8180 -6.2600 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 -9.2150 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4750 -8.1940 1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0370 -9.9620 -2.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9360 -11.3730 -2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5680 -10.0650 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9690 -15.2090 -1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4320 -15.3930 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3350 -11.2480 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7760 -11.3480 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6920 -15.5580 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2510 -15.4570 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4820 -15.6300 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.9260 -15.7200 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -21.1860 -13.6740 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.0100 -11.5300 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5660 -11.4230 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 49 1 0 0 0 0 7 8 1 0 0 0 0 7 50 1 0 0 0 0 8 9 2 0 0 0 0 8 51 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 52 1 0 0 0 0 11 12 1 0 0 0 0 11 53 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 60 1 0 0 0 0 31 32 2 0 0 0 0 31 61 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 34 39 2 0 0 0 0 35 36 2 0 0 0 0 35 62 1 0 0 0 0 36 37 1 0 0 0 0 36 63 1 0 0 0 0 37 38 2 0 0 0 0 37 40 1 0 0 0 0 38 39 1 0 0 0 0 38 64 1 0 0 0 0 39 65 1 0 0 0 0 40 41 1 0 0 0 0 40 45 2 0 0 0 0 41 42 2 0 0 0 0 41 66 1 0 0 0 0 42 43 1 0 0 0 0 42 67 1 0 0 0 0 43 44 2 0 0 0 0 43 68 1 0 0 0 0 44 45 1 0 0 0 0 44 69 1 0 0 0 0 45 70 1 0 0 0 0 M END