NIH-ZINC06498986 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 64 0 0 1 0 0 0 0 0999 V2000 1.3950 1.0690 -0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 0.5450 -1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 1.3860 -1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 2.2320 -2.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 1.2340 0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 2.5070 1.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 2.2030 2.8940 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 2.1220 4.1990 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3740 3.0950 4.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0030 1.9210 5.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2220 1.7420 4.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 1.9370 2.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6090 1.8640 1.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3610 1.4830 4.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 1.8990 6.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0460 1.6900 7.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 2.0470 7.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 3.2380 7.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 2.8530 7.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 1.5010 8.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 0.9670 8.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 0.9960 7.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -0.4490 7.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 3.6500 8.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 4.8520 8.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 2.8440 8.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 3.5230 9.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 4.6230 6.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 1.0350 4.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 1.0180 4.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 -0.3250 4.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -1.0420 3.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -0.2250 3.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 0.4150 -1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 2.0750 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 1.1080 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 0.5030 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 -0.4530 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 1.7620 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 0.3300 -1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 3.2800 -2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 1.8820 -3.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 2.1910 -3.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 0.9190 1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 0.4010 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 3.1740 1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 3.0650 1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7540 1.6760 8.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 -0.8450 6.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -1.0380 8.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1090 -0.5970 8.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 4.2900 9.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3080 2.7880 9.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 3.9620 8.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 5.3170 7.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 4.9590 6.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 4.6860 6.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 1.8680 4.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9510 -0.7250 4.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -2.0870 3.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 1.4800 -0.5180 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6990 2.4410 -0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 2 61 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 3 61 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 5 61 1 0 0 0 0 6 7 1 0 0 0 0 6 46 1 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 31 32 2 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 61 1 M END