NIH-ZINC02938614 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.5300 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.9170 -1.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -4.9300 1.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -5.0430 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -4.7540 -1.1490 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0200 -3.8700 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8080 -4.4990 -0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 -3.2510 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 -2.6270 0.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9820 -2.8290 0.7480 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0170 -1.6140 1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0900 -0.6710 1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4230 -1.4160 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2910 -2.6130 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2310 -3.5710 0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8070 -1.8700 2.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0800 -1.2660 2.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6400 -0.9000 1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4350 -0.5260 0.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 -5.9300 -2.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 -5.8610 -3.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 -7.1910 -3.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 -7.9940 -2.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 -7.2240 -1.7330 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 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 -5.5350 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4750 -4.3720 -1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -5.3480 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2600 -1.8780 2.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0450 -1.1220 1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1950 0.1890 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7970 -0.3320 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2490 -3.1290 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9930 -2.2660 -1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0600 -4.3700 -0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5740 -3.9950 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7340 -1.9790 3.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9460 -0.3700 3.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1160 -1.7620 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3320 -0.0610 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 -4.9620 -4.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -7.5040 -4.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 -9.0730 -2.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 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 22 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 29 30 2 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 M END