NIH-ZINC01078362 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6180 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1380 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -0.4880 3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -1.8690 3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -2.6260 2.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -2.0040 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -2.9560 -0.1530 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 -2.6650 4.5060 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 -3.9530 4.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6310 -1.7230 5.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 -2.9090 5.6850 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -4.1490 5.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -5.1390 6.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 -4.8380 7.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -6.3580 6.8120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 -1.8850 6.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6220 -2.4760 8.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 -1.4060 9.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -0.9310 9.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 -0.3400 7.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -1.4090 6.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 1.2170 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 0.1010 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -3.7040 2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -3.9370 6.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -4.5670 4.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -6.5990 6.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -6.9960 7.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 -1.0410 6.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -3.3190 8.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 -2.8150 8.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 -1.8270 10.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 -0.5630 8.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -1.7740 9.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -0.1690 9.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -0.0010 7.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 0.5040 7.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 -0.9880 5.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -2.2530 6.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 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 29 1 0 0 0 0 8 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 M END