NIH-ZINC04039270 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 63 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.8510 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.1560 0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.1220 -0.6770 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -2.8980 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.8090 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -0.3560 -2.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 0.8330 -2.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -1.2590 -3.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -0.7390 -4.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -3.3990 1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.4290 2.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -0.6380 3.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 -0.2680 4.7890 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5010 -0.7900 5.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 -0.6890 5.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 -1.2470 4.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3290 -1.6960 4.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 -1.2280 2.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 -1.6560 1.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 -0.5270 6.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9020 0.8210 6.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3870 2.1480 7.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0250 2.2450 9.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9940 2.3170 10.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1050 1.1970 10.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 1.0900 8.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 1.2210 4.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 1.8370 5.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 3.2160 5.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 3.7200 5.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 2.4130 4.5980 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 0.1630 3.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -1.5680 -5.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 -0.1410 -4.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -0.1160 -5.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -3.7130 1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -4.1940 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -3.1900 2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 -1.3310 6.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 -0.5640 7.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1880 1.6240 6.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6890 0.8570 5.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1670 2.0360 7.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8150 3.0540 7.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6450 3.1400 9.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6410 1.3630 9.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 1.3340 11.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6650 0.2850 10.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 1.9790 8.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8120 0.2050 8.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 1.3010 5.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 3.8370 5.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 4.7690 5.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 0.4040 3.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4920 0.9830 7.9280 N 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 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 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 34 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 29 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 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 60 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 60 1 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 34 59 1 0 0 0 0 M END