NIH-ZINC01063147 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 -0.9110 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 -1.3690 2.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -1.4190 3.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -1.0100 3.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -0.5480 2.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 -0.9070 -1.4110 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -1.3920 -1.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 0.1880 -2.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -2.2720 -2.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 -3.5650 -1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 -4.6370 -2.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -4.4170 -3.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -3.1190 -3.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 -2.0500 -2.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -2.8390 -4.5720 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -5.4710 -3.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -6.7780 -3.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 -7.8110 -4.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 -7.4620 -4.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -9.1230 -3.8080 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -10.1500 -4.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 -11.1370 -3.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -11.6080 -2.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -10.5850 -1.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -9.5700 -2.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 -0.8730 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 -1.6890 2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -1.7770 4.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -1.0490 4.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 -0.2250 2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 -0.6150 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 -3.7360 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 -5.6460 -2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -1.0390 -3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -6.8930 -2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 -6.9120 -3.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -10.6780 -5.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 -9.6800 -4.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 -11.9800 -3.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -10.6360 -2.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -11.0320 -1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -10.0820 -1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -8.7160 -2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -10.0380 -3.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 42 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M END