NIH-ZINC04039418 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 69 0 0 1 0 0 0 0 0999 V2000 -0.1520 1.5150 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 0.0360 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -0.8230 1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 -2.1150 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -2.0660 -0.4340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 -2.8630 -1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -0.7700 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -0.4030 -2.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 0.7330 -2.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -1.5290 -3.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -1.2870 -4.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 -3.3980 1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -0.4360 2.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -0.6830 3.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -0.3120 5.0470 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9280 0.7590 5.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -0.5290 5.4180 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2600 -1.1600 4.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4310 -1.4970 4.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 -1.3280 3.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 -1.8990 2.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0940 -0.1180 6.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 1.1430 6.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0510 1.7080 9.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8850 2.4220 7.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 -1.1620 5.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -0.5790 6.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 -1.3600 7.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 -2.7350 7.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 -3.3220 6.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 -2.5430 6.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 -3.3840 8.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 -4.8100 8.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8350 -5.2990 8.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -6.1010 9.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 0.2590 3.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 2.0150 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 1.7920 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 1.8980 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 -2.2500 -4.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -0.8270 -4.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 -0.6570 -4.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -3.8320 1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 -4.1250 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 -3.2490 2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7130 -0.9480 7.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2830 0.0380 7.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3540 2.0390 6.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6520 1.0390 5.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 2.6110 8.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 0.8600 9.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7620 1.8650 9.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4830 2.0900 6.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3850 3.3700 7.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5190 2.5030 8.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 0.4830 6.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 -0.8950 7.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 -4.3850 6.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 -3.0390 5.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -5.1380 8.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 -5.2110 7.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7800 -4.9670 8.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9350 -6.4600 10.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7900 -6.4150 10.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7170 0.2230 2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8320 1.3760 7.7880 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.3460 0.5030 7.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 66 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 66 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 66 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 2 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 36 65 1 0 0 0 0 66 67 1 0 0 0 0 M CHG 1 66 1 M END