NIH-ZINC04093224 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 62 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.0990 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 -0.5470 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 -1.9280 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 -2.6710 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -2.0300 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -2.7800 -0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -3.6520 1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 -4.3170 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 -4.9870 -0.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 -4.2120 -1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -3.5520 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -6.2770 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 -6.9010 0.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 -6.9440 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 -8.6610 -1.2180 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 -9.1840 -2.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 -10.5020 -3.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 -10.8950 -4.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2240 -9.9640 -5.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8340 -8.6850 -5.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 -8.3350 -3.8770 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 -11.4550 -2.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9970 -12.7560 -2.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 -13.2090 -3.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1360 -13.3030 -0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 -14.5560 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5460 -14.7900 0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -13.7810 1.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8620 -12.5420 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8110 -12.2810 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5020 -11.1810 -0.7930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 1.1780 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0290 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6100 -2.4280 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -3.7500 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -3.0590 2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -4.4200 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 -3.5590 1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -5.0510 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 -3.4450 -1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -4.8780 -2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -4.3210 -1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -2.8860 -2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 -6.9240 -2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 -6.4130 -2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 -11.8990 -4.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 -10.2340 -6.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6330 -7.9600 -5.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7520 -15.3450 -1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8300 -15.7640 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2620 -13.9790 2.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 -11.7640 2.0160 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 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 7 2 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 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 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 22 23 2 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 25 26 1 0 0 0 0 25 34 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 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 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 33 34 1 0 0 0 0 M END