NIH-ZINC02938681 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 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 -5.0010 -1.6160 1.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4240 -1.3610 2.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4440 -0.0940 2.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7730 0.1440 3.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9020 1.3110 4.2100 C 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 -5.8010 -3.3280 0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3330 -1.7430 2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6690 -0.7670 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0920 -1.2340 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7560 -2.2090 2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7760 -0.2210 3.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1120 0.7550 2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2650 1.2130 5.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6010 2.1880 3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9400 1.4210 4.5240 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 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 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 33 1 0 0 0 0 7 34 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 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 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 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 M END