NIH-ZINC04003820 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 56 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.8060 1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.1370 0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -2.1270 -0.6670 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.7930 -1.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -0.4890 -2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -3.2780 1.4590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -3.1480 2.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -2.0450 3.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -4.3750 3.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -3.8750 5.4150 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -5.4580 6.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -6.5200 5.4300 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -7.7750 5.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -8.9000 5.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -10.1590 5.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -10.3260 7.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 -9.2300 7.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -7.9500 7.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -6.7460 8.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -6.6330 9.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -5.2010 9.8280 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7260 -4.9500 10.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -4.5160 8.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -3.3240 8.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -5.5150 7.5670 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 -4.8150 10.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 -5.4880 11.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 -6.7390 12.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -7.3570 13.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -6.7240 14.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -5.4730 14.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -4.8530 13.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -0.4800 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -4.1610 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -4.9810 3.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -4.9570 3.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -8.7820 4.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -11.0270 5.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -11.3210 7.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -9.3650 8.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.1340 10.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -3.7340 10.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 -7.2340 11.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -8.3350 13.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -7.2070 15.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -4.9780 15.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 -3.8740 12.9180 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 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 28 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 31 49 1 0 0 0 0 32 33 2 0 0 0 0 32 50 1 0 0 0 0 33 34 1 0 0 0 0 33 51 1 0 0 0 0 34 52 1 0 0 0 0 M END