IBS-ZINC05516036 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 -0.2560 1.5320 0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 0.0290 0.2110 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3280 -0.1900 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -0.6180 1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 -1.4910 1.9890 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 -0.2500 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9600 0.4620 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2600 0.5880 0.7700 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9950 1.0680 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4300 -0.0370 1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1950 -0.5780 2.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 -1.2850 3.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2460 -1.4220 4.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4600 -0.8670 3.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 -0.1630 2.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -0.7220 -1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4090 -1.6290 -1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2760 -1.2570 0.0770 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 -1.1630 1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 -0.2190 1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6350 -1.0580 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3410 -0.0930 0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7150 0.1130 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4240 -0.6480 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7490 -1.6100 -1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3760 -1.8120 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6120 -2.5660 -2.3330 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 2.0660 0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 1.9420 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 1.7790 1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 0.8900 -0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1670 -1.7250 3.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1800 -1.9670 5.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3340 -0.9840 4.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5280 0.2650 2.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 -1.1080 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4350 0.3080 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9190 -1.5400 -2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 -2.6750 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3200 -0.8270 2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3050 -2.1660 1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7420 0.8000 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8840 -0.2270 2.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8230 0.5470 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2270 0.8730 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4900 -0.4880 -0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8920 -2.5950 -1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -0.6810 0.2430 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2300 -1.6550 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 48 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END