FDA-ZINC08101057 MOE2007 3D CORINA 3.40 0006 02.08.2006 86 88 0 0 1 0 0 0 0 0999 V2000 0.5330 2.1390 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 0.7780 -0.6180 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2450 0.8980 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -0.0290 -1.9030 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3870 0.4190 -2.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 -0.0220 -2.2130 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8890 -0.5090 -3.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 1.4240 -2.2600 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6610 1.9750 -3.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 2.1090 -0.8910 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4060 3.1370 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 1.4160 0.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1720 1.9690 1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8550 3.0990 1.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 1.0030 2.2350 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5970 0.3860 1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7960 1.7340 3.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7180 0.7620 4.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 0.1330 2.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6210 1.4070 -2.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9760 2.2750 -3.6550 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4710 1.9320 -4.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 2.1630 -3.8070 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7850 1.1380 -4.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0540 3.1660 -4.8240 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9090 2.8140 -5.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4670 4.5790 -4.6490 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7110 5.1850 -5.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9450 4.5210 -4.4650 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4620 4.1360 -5.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6160 3.6310 -3.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 5.8990 -4.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9380 5.8260 -4.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 5.1790 -3.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1060 5.2200 -3.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7680 4.8000 -2.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1470 2.4470 -2.5410 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5870 1.9990 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 -0.7950 -1.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 -1.7270 -1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -1.3390 -1.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -2.3620 -2.6050 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1220 -1.9530 -3.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -3.5140 -2.4400 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1170 -3.1900 -2.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 -4.6840 -3.3450 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7750 -4.3930 -4.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -5.1070 -3.0290 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0620 -5.9340 -3.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -3.8930 -3.1890 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6460 -3.5300 -4.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -2.8230 -2.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -4.2530 -2.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 -5.5860 -1.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -4.9850 -1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 -5.7840 -3.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -6.0520 -2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -3.9980 -1.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 -3.3950 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 2.8180 -1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 2.5680 0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.4720 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3910 2.5160 2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1470 2.2300 4.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 0.0060 4.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4130 0.2710 3.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 0.6610 3.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 6.2480 -3.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6570 6.6400 -4.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 -4.4700 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -5.1380 -3.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5460 1.5010 4.9830 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1800 0.8620 5.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9800 1.9670 5.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1400 2.2250 4.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5340 3.2530 -4.5600 N 0 3 0 0 0 0 0 0 0 0 0 0 7.8960 4.2030 -4.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1060 2.5640 -5.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6330 3.0890 -3.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0490 -3.1470 -3.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9890 -3.4050 -2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7910 -2.3290 -2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -0.0700 0.5570 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1770 -1.0100 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 0.2920 1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 -0.1980 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 60 1 0 0 0 0 1 61 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 83 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 41 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 39 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 62 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 17 63 1 0 0 0 0 17 64 1 0 0 0 0 18 65 1 0 0 0 0 18 66 1 0 0 0 0 18 72 1 0 0 0 0 19 67 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 31 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 37 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 76 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 35 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 32 33 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 37 38 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 52 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 58 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 56 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 48 54 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 50 53 1 0 0 0 0 53 70 1 0 0 0 0 53 71 1 0 0 0 0 53 80 1 0 0 0 0 54 55 1 0 0 0 0 56 57 1 0 0 0 0 58 59 1 0 0 0 0 72 73 1 0 0 0 0 72 74 1 0 0 0 0 72 75 1 0 0 0 0 76 77 1 0 0 0 0 76 78 1 0 0 0 0 76 79 1 0 0 0 0 80 81 1 0 0 0 0 80 82 1 0 0 0 0 83 84 1 0 0 0 0 83 85 1 0 0 0 0 83 86 1 0 0 0 0 M CHG 1 72 1 M CHG 1 76 1 M CHG 1 83 1 M END