ANALYTICONDISCOVERY-ZINC04222019 MOE2007 3D CORINA 3.40 0006 02.08.2006 89 93 0 0 1 0 0 0 0 0999 V2000 0.0470 -0.0820 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -1.5200 0.0180 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4140 -2.1630 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 -2.0000 1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -2.7050 0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 -3.0710 2.2500 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 -2.2450 3.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -1.7750 2.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -2.1010 4.5400 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 -2.6340 5.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1390 -3.2410 4.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 -2.4800 6.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2960 -3.0310 7.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3020 -2.8840 8.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 -2.1920 9.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -1.6440 8.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 -1.7780 7.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 -2.0350 10.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2590 -0.7400 12.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0810 0.5100 13.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1180 1.6350 11.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 0.3840 10.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0810 2.9290 13.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 -3.1050 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 -2.9470 -1.5800 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1290 -1.5700 -1.3650 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8960 -0.7990 -1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -1.3250 -2.4080 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7540 -2.0670 -2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -1.4300 -3.8190 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1780 -1.2440 -4.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 -2.8410 -4.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 -3.0680 -3.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 -0.4000 -3.9950 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5160 -0.5920 -3.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 1.0060 -3.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -0.5050 -5.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -1.2410 -6.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3730 0.2210 -5.7340 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 1.0110 -4.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8440 0.2190 -7.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1690 1.3310 -7.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 2.2220 -8.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -0.0180 -2.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -4.0410 -1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 0.5930 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 0.1890 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -0.0020 1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -1.6160 4.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0920 -3.5720 6.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1040 -3.3090 9.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 -1.1060 9.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -1.3460 6.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 -1.9740 11.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7930 -2.8940 11.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8060 -1.6270 13.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 -0.6930 13.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2360 0.5770 14.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 0.4500 12.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 1.5870 10.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5700 2.5220 10.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 0.4440 11.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1400 0.3170 9.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0680 2.9170 12.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1860 2.9860 14.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5240 3.7960 12.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7770 -2.4660 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 -4.1440 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -3.5750 -3.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 -2.9400 -5.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 -2.3240 -3.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 -4.0630 -3.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 1.1760 -2.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 1.7430 -4.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 1.1000 -4.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7920 0.3760 -4.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6090 1.8310 -5.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 1.4140 -4.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9240 0.3700 -7.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6040 -0.7380 -7.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0910 1.3930 -7.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9680 2.1590 -8.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 3.0180 -9.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 0.2080 -2.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -3.9580 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -3.9250 -1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -5.0190 -1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0180 -0.8070 11.3450 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 1.7020 12.6480 N 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 2 4 1 0 0 0 0 2 26 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 49 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 12 17 2 0 0 0 0 13 14 2 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 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 18 88 1 0 0 0 0 19 20 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 19 88 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 20 89 1 0 0 0 0 21 22 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 21 89 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 22 88 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 23 89 1 0 0 0 0 24 25 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 25 26 1 0 0 0 0 25 33 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 44 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 34 1 0 0 0 0 32 33 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 36 75 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 41 42 1 0 0 0 0 41 79 1 0 0 0 0 41 80 1 0 0 0 0 42 43 2 0 0 0 0 42 81 1 0 0 0 0 43 82 1 0 0 0 0 43 83 1 0 0 0 0 44 84 1 0 0 0 0 45 85 1 0 0 0 0 45 86 1 0 0 0 0 45 87 1 0 0 0 0 M END