IBS-ZINC05450812 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 1 0 0 0 0 0999 V2000 -0.2810 1.3300 -0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -0.1660 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -0.8500 -1.1770 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3890 -0.5280 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 -0.3780 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -2.3960 -1.1150 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4020 -2.6810 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -3.0170 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 -3.7120 -0.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 -3.0110 -2.3500 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -2.9470 -3.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -2.4110 -3.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -3.6330 -4.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -5.0530 -4.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 -5.7320 -6.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -7.1180 -6.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 -8.2810 -5.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -9.3360 -6.2590 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 -10.3040 -6.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -8.8910 -7.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -7.5000 -7.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -6.7890 -8.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 -7.4890 -8.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -8.8780 -8.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -9.6070 -7.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 1.8690 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 1.5300 -1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 1.7420 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 -0.3120 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -0.6260 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 -0.5440 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 -0.9020 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 0.6910 -1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 -3.5280 -2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 -3.0340 -5.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4670 -3.6450 -4.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -5.6390 -3.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -5.0290 -5.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -5.1310 -6.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 -5.7690 -5.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 -8.4420 -5.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 -5.7070 -8.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4110 -6.9410 -9.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5590 -9.4040 -9.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -10.6890 -7.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -2.7770 1.2550 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 46 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 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 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 M CHG 1 46 -1 M END