NIH-ZINC04038818 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 66 0 0 1 0 0 0 0 0999 V2000 0.2090 1.1000 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 -0.3780 1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 -1.2200 1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -2.6550 1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 -3.1730 1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 -2.3230 0.6580 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 -0.9470 0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -0.3720 -0.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 -1.3770 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 -2.5970 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2210 -3.9070 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8710 -4.4740 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4160 -5.8840 1.1060 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6200 -6.5990 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7300 -6.0930 2.5170 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6060 -4.9630 3.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7990 -4.8400 4.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1090 -3.8780 2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9330 -2.7300 2.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1160 -7.3810 3.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9370 -8.0650 3.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 -9.7100 5.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7580 -10.8540 6.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2640 -11.9250 5.6120 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3750 -11.5040 4.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9650 -10.3930 3.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6230 -6.0930 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4920 -6.8360 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6080 -7.0220 -1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8310 -6.5310 -1.4800 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9370 -5.7990 -0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8810 -5.5540 0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 -4.5900 -1.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4550 -1.0750 -1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 1.3580 1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 1.4460 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 1.6520 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -0.8470 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 -3.2730 2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -4.2330 1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9170 -7.1990 3.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5210 -8.0090 2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2060 -8.4480 3.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4300 -7.3590 4.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 -8.8630 6.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 -10.0420 4.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 -11.2490 7.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5390 -10.5150 7.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7260 -12.3730 4.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1920 -11.1820 5.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1790 -10.7280 3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8310 -10.0320 3.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5380 -7.2560 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5440 -7.5860 -2.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9270 -5.3980 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0510 -4.9570 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 -3.9730 -1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5350 -1.6410 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 -1.3380 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5290 -0.0100 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3930 -9.2210 4.6390 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.1300 -8.8710 5.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 61 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 61 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 61 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 61 1 M END