ANALYTICONDISCOVERY-ZINC04151594 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 69 0 0 1 0 0 0 0 0999 V2000 4.2780 -0.6470 -0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3220 -1.7260 -0.5090 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 -2.8540 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2370 -3.5650 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 -2.8960 -1.1030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 -1.7910 -1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 -5.0960 0.5140 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 -6.0270 0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 -4.8630 1.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -5.5090 -0.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -5.8990 -1.5160 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8980 -5.4160 -2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -7.4050 -1.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 -8.1360 -0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 -7.4610 -0.7900 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 -6.2350 -1.5640 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0390 -5.5780 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 -5.4110 -2.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 -6.6560 -2.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 -7.3050 -3.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6210 -6.3040 -2.6450 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6380 -6.6510 -3.6310 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1990 -7.3260 -4.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1980 -5.3970 -4.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1320 -4.5500 -4.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -4.9850 -6.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5040 -4.2100 -6.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 -2.9960 -6.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7420 -2.5580 -5.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 -3.3300 -4.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7760 -7.4340 -2.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4990 -7.9370 -1.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6130 -7.7730 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1920 -8.4970 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8480 -7.6610 -3.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 -7.9610 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3480 -7.4480 -0.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 -9.1420 0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3760 -9.8680 1.6560 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 -10.8880 2.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6410 -11.7770 3.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 -12.9280 2.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9370 -0.7600 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8600 -0.6880 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7360 0.2990 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1370 -3.0550 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 -1.0150 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -5.9450 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -7.6450 -2.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 -7.7840 -1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 -9.1290 -1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -8.2960 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -4.3610 -1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -5.3970 -3.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9200 -5.8170 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9370 -5.6810 -5.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7510 -4.7890 -3.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7770 -5.9330 -6.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 -4.5530 -7.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 -2.3920 -6.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 -1.6160 -4.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2030 -2.9770 -3.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 -9.9280 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 -8.7810 1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 -11.5010 2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 -10.2510 3.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2690 -11.2940 4.5000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 6 47 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 15 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 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 55 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 31 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 24 57 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 58 1 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 28 29 2 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 31 32 1 0 0 0 0 31 35 2 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 65 1 0 0 0 0 40 66 1 0 0 0 0 41 42 2 0 0 0 0 41 67 1 0 0 0 0 M CHG 1 67 -1 M END