NIH-ZINC04056880 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 1 0 0 0 0 0999 V2000 -0.3960 1.7340 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 0.2440 0.1320 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3980 0.0920 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -0.5340 0.1380 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9790 -0.3060 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -2.0120 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -2.8580 1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -4.1730 0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 -4.3950 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -2.8870 -1.3420 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 0.0680 -2.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 0.3890 -3.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0630 1.5820 -3.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9160 1.3650 -1.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0380 1.0440 -0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8260 1.9480 -4.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6630 3.0550 -4.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4150 3.4150 -5.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3360 2.6750 -6.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5040 1.5720 -6.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7440 1.2100 -5.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -0.2340 1.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 -0.2950 1.0190 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 -0.7610 2.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 -0.9440 -0.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9520 1.3630 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3230 2.1010 1.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7650 3.4010 1.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8380 3.9640 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 3.2260 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0300 1.9240 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 2.2520 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 2.1500 -0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 1.8640 1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -2.5410 2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 -4.9600 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -5.3550 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 -0.8330 -2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 0.9010 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 0.5780 -4.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9110 -0.4560 -3.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4960 2.2660 -1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5930 0.5320 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 1.8880 -0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6700 0.8550 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7250 3.6330 -3.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0660 4.2750 -5.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9260 2.9580 -7.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4440 0.9970 -7.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0910 0.3520 -5.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -0.5140 2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 1.6610 2.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0540 3.9780 2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1830 4.9800 0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 3.6650 -1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 1.3460 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 -0.1490 -1.0300 N 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 4 1 0 0 0 0 2 22 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 57 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 11 57 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 57 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 M END