NIH-ZINC04102010 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 1.1440 0.9630 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -0.3290 0.3670 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7650 -1.1310 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 -0.3210 -0.1430 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0520 -1.3280 -0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 0.6400 -1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 0.3330 -2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 1.4740 -3.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 2.6180 -2.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 2.3160 -1.0650 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2800 -0.3630 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 -0.0760 1.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0180 -0.8970 2.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7170 -0.6390 3.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 -0.9330 2.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 -0.7020 -0.6930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 -1.9720 -1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 -2.8620 -0.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6100 -2.2300 -2.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 -3.5380 -2.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4570 -3.8820 -3.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3040 -2.9240 -4.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 -1.6220 -3.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 -1.2580 -2.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 0.0080 -2.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 0.9870 -2.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 0.8040 1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 1.7700 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 1.3050 1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 -0.6660 -3.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 1.4560 -4.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 3.6200 -3.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3140 -1.4150 0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 0.2830 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 0.9790 1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2940 -0.3050 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 0.4010 3.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 -1.2840 4.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 -0.6680 2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 -1.9830 1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 -0.0100 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -4.3010 -2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4520 -4.8950 -4.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9620 -3.1890 -5.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9910 -0.9140 -4.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1480 1.9200 -2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3570 0.6980 -2.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0810 1.1790 -3.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 -0.0950 0.9820 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7930 0.9010 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 49 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 30 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 49 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 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 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END