NIH-ZINC04313003 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 1.2720 1.2220 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -0.1390 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -0.8340 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -2.0870 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -2.6420 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -1.9400 -1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -0.6880 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 0.1940 -2.6970 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 -3.8710 0.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 -4.3770 -1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -2.7940 2.4000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -2.1290 3.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -0.9160 3.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -2.8920 4.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -1.7260 6.2400 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -2.8570 7.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -4.1700 7.5010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -4.6840 8.6730 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -3.7320 9.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -2.5330 8.9030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -1.1890 9.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 -0.7420 9.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 -0.9430 11.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 -0.3640 10.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 0.1560 9.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 -0.0710 9.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 -3.9140 11.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -5.2020 11.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -5.3550 12.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -4.2170 13.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 -2.9710 13.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 -2.8510 11.8270 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 1.1140 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 1.8220 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 1.7150 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -0.4020 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 -2.3680 -2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -4.4550 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 -5.3620 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 -3.7000 -1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -3.7620 2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 -3.5320 4.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -3.5070 4.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 -1.2040 10.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -0.4960 8.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 -1.4500 11.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 -0.3440 11.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5020 0.6720 9.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -6.0660 10.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -6.3390 13.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -4.3040 14.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -2.0840 13.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 14 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 16 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 31 2 0 0 0 0 30 51 1 0 0 0 0 31 32 1 0 0 0 0 31 52 1 0 0 0 0 M END