NIH-ZINC06578074 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 3.3560 0.3640 2.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 -0.7410 2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -1.0680 2.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -2.2450 2.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 -3.0470 2.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -4.1470 1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -4.4740 0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -3.7030 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 -2.5350 1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.6370 1.4780 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -0.4060 3.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 -1.0200 4.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 1.0570 3.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 1.8640 4.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 3.2320 4.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 4.2120 4.8150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 3.1450 2.7220 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 1.7840 2.2400 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8860 1.7990 1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 1.2510 1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 0.5970 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 0.0790 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 0.2100 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 0.8500 1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 1.3650 1.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2540 -0.2890 -0.9060 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 4.2870 1.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 5.0350 1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 6.2980 0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 6.5570 -0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 8.5610 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 1.5580 5.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1720 0.5770 3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4130 0.1010 2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 1.2730 2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -2.7530 2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 -4.8010 1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -5.3670 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 -3.9500 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 0.4790 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7370 -0.4290 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5930 0.9410 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 1.8560 2.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 3.9560 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 4.9640 2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 5.2980 2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 4.3700 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 6.0730 -0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 6.9160 1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 6.4550 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0040 5.5880 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5210 7.2330 -0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 8.9750 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 8.5470 -0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.1340 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 2.3840 6.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 7.1430 0.4980 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1930 7.1920 1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 57 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 57 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 57 1 0 0 0 0 32 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END