NIH-ZINC03958808 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 0 0 0 0 0 0999 V2000 0.2880 -0.4820 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -1.8940 -0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -2.9020 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -4.1970 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 -4.4880 -1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -3.4840 -2.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 -2.1830 -1.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -1.1660 -2.6860 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 -1.0240 -3.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 0.2110 -4.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 0.1010 -5.1420 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 -0.1790 -4.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -1.3990 -3.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 0.2530 -6.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 0.5720 -7.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 0.0260 -7.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 -0.3570 -8.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6090 -0.6200 -9.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4690 0.5560 -9.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 1.0630 -7.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 1.3080 -7.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1810 1.2960 -10.4010 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4520 2.6330 -10.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3880 0.9690 -11.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7450 0.5240 -10.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8780 1.0120 -10.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0870 0.3730 -10.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1230 -0.7230 -11.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0260 -1.1590 -11.6690 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8600 -0.5720 -11.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -6.1160 -1.7940 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 0.0410 0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 0.0350 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -0.5020 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -2.6780 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -4.9830 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -3.7110 -3.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 -0.9080 -3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 -1.9120 -4.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 1.1100 -3.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0460 0.2570 -5.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 0.6830 -3.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -0.3910 -4.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 -2.2810 -4.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 -1.5540 -2.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 -0.7800 -6.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 0.4590 -9.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -1.2570 -8.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 -0.7960 -10.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 -1.4930 -8.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 1.9980 -7.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 0.3280 -7.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 1.5920 -6.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 2.1080 -7.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8190 1.8700 -9.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9890 0.7260 -9.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0610 -1.2270 -11.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9830 -0.9560 -11.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 31 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 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 28 29 2 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 30 58 1 0 0 0 0 M END