NIH-ZINC05235329 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 1.6600 2.2790 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 1.2770 2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 3.6100 1.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 3.5820 2.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 5.0010 2.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2300 5.0130 3.8360 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 5.2540 5.2760 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6110 6.1680 5.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6640 5.5630 5.6780 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4270 4.9940 4.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4970 4.7830 3.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8530 4.4870 2.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6250 4.7930 4.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0840 5.0580 7.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7960 4.0660 7.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 5.7470 8.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7910 5.1110 9.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3400 5.7400 10.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 6.9400 10.6480 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5520 7.5340 9.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9640 6.9870 8.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 4.1060 6.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0380 2.7970 5.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 1.7730 6.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 2.0370 7.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 3.3290 7.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 4.3520 6.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 3.7240 8.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 2.7900 9.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 1.2620 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6290 2.7040 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 2.9010 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 1.7080 2.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 0.3200 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 1.1290 2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 4.2310 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 3.9930 2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 3.0370 2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 3.0430 3.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 5.5320 3.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 5.5630 2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8550 6.6420 5.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 4.1440 9.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4690 5.2830 11.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 8.5010 9.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 7.5490 7.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 2.5570 5.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 0.7650 6.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 1.2130 7.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 5.3540 6.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 3.2870 9.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 2.4780 9.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 1.9260 8.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 2.2210 1.0540 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1070 1.8250 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 54 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 54 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 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 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END