NIH-ZINC04083285 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 0 0 0 0 0 0999 V2000 0.7980 -1.1820 2.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -1.9590 1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -2.3440 1.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 -2.0290 2.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 -3.0400 0.2730 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 -3.4780 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7570 -2.7020 0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0700 -3.1320 0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4110 -4.3430 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 -5.1230 -0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1190 -4.6910 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 -5.4500 -0.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 -6.6820 -1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7430 -4.7780 0.3300 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7450 -3.8830 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4980 -2.6960 0.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1730 -4.3580 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2770 -2.9290 0.0140 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.8330 -3.7520 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8630 -5.0790 -0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.0050 -5.7380 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2020 -5.0190 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1300 -3.6090 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9380 -3.0260 -0.1630 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.2760 -2.8510 -0.3380 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.4960 -5.7120 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5150 -5.0790 -0.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.5540 -7.0490 -0.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.8660 -7.6660 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7320 -9.1760 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 -0.9030 2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -0.2820 2.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -1.8070 3.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -1.3340 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 -2.8580 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 -3.2370 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 -1.7600 1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8310 -2.5270 1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7000 -6.0650 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 -7.3180 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 -6.4780 -2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 -7.1880 -1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9430 -5.7240 0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2950 -4.9930 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4190 -4.9260 1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0170 -6.8170 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1460 -3.2790 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2130 -1.8890 -0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5080 -7.2500 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3040 -7.4690 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7160 -9.6400 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0890 -9.5920 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2940 -9.3730 1.0210 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 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 46 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 25 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 28 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 30 53 1 0 0 0 0 M END