NIH-ZINC04102011 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 0.1530 1.8360 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 0.3500 0.8870 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7170 -0.2120 1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 0.0430 -0.6350 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3540 0.7940 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 -1.2970 -1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 -1.5210 -1.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 -2.9000 -1.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 -3.6880 -1.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -2.7690 -0.8490 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 -0.0860 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1260 -0.0630 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3370 1.2040 -1.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 1.4770 -2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9380 1.5230 -1.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 -0.0600 1.3410 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 -1.2120 2.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -1.9470 2.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9750 -1.5610 2.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 -2.7650 3.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 -3.1940 3.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5450 -2.4250 3.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3740 -1.2270 2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0940 -0.7790 2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8690 0.3890 1.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9910 1.2270 1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 2.1960 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 2.4480 0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 2.0210 2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 -0.7350 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 -3.2940 -2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -4.7630 -1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -1.0650 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7570 0.6960 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9400 -0.2160 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1870 -0.8600 -1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 2.4470 -2.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 0.7210 -3.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 2.3210 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 1.6470 -2.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 0.5050 1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3120 -3.3830 3.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5720 -4.1260 3.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5440 -2.7570 3.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2710 -0.6680 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6210 2.1250 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6980 0.7350 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4780 1.5440 2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 0.2100 -1.1230 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7570 -0.5190 -1.8460 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