IBS-ZINC04024408 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 51 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -1.9570 -0.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -2.5890 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 -3.9730 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8890 -4.6180 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0700 -3.8790 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0110 -2.4880 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 -1.8510 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3760 -4.5660 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4260 -5.7760 -0.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5140 -3.8520 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8100 -4.5340 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9310 -3.5010 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2650 -4.2020 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3140 -5.4100 -0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4020 -3.4880 0.1940 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.6990 -4.1700 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8200 -3.1370 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1740 -3.8490 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2770 -2.8320 0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0080 -1.6580 0.5390 O 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.2570 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 -4.5430 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 -5.6930 -0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9210 -1.9130 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7430 -0.7760 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4740 -2.8860 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9290 -5.0780 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8580 -5.2330 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8120 -2.9570 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8830 -2.8010 -0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3630 -2.5220 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8180 -4.7140 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7470 -4.8700 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7010 -2.5930 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7720 -2.4380 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2920 -4.3930 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2210 -4.5490 1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5590 -3.2300 0.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.2320 -2.5410 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 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 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 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 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 50 51 1 0 0 0 0 M END