ANALYTICONDISCOVERY-ZINC04221457 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 69 0 0 1 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 -0.4080 1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -1.9050 1.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -2.6280 0.8160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 -2.4400 2.7210 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 -3.8960 2.8560 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8500 -4.3700 1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9310 -4.2860 3.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 -5.6560 4.3430 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9570 -6.4570 3.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 -5.7310 4.2160 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -4.4690 3.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -6.7810 4.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -7.7740 5.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -6.7210 4.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8570 -8.0310 4.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3740 -7.9700 4.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9920 -9.2600 5.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2880 -10.1420 5.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3260 -9.4350 5.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2950 -8.4510 4.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6380 -8.8230 5.2440 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.6900 -8.4200 6.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5580 -10.3720 5.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0560 -10.6400 5.5040 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8800 -10.8300 6.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6070 -11.8230 4.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0330 -11.6490 3.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7750 -8.3660 4.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2460 -7.1120 4.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7290 -6.3630 5.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4160 -6.6420 3.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9050 -5.2090 3.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7380 -6.3870 4.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8920 -5.7710 5.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 -5.5790 6.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 0.0240 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 -0.0010 2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 -1.8620 3.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8560 -4.3790 3.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 -3.5600 4.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -3.7810 4.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -4.6620 2.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 -5.8900 4.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 -6.5750 3.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -8.8620 4.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 -8.1770 5.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7790 -7.1390 5.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6030 -7.8240 3.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9960 -7.4410 4.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3800 -8.5370 3.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1580 -10.7780 6.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8720 -10.7880 4.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1890 -8.9660 3.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4680 -7.0430 2.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3800 -4.6060 4.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2780 -4.6670 3.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6590 -6.6200 3.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7600 -6.5590 5.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8450 -13.0700 5.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1560 -6.0860 6.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 -6.1480 7.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5380 -13.7960 4.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 30 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 64 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 59 1 0 0 0 0 34 35 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 36 37 2 0 0 0 0 36 65 1 0 0 0 0 64 67 1 0 0 0 0 65 66 1 0 0 0 0 M END