IBS-ZINC05025985 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -2.0570 2.3770 1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 1.2070 0.5540 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 0.1870 1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 -0.6830 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 -0.2610 -0.8560 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 0.8860 -0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 1.6650 -1.7940 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 1.2850 -3.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 0.0540 -3.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 -1.8430 0.8290 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -2.1410 2.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -3.1780 2.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -1.1960 3.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 -0.0210 2.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 0.7550 3.5210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -1.4730 4.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -1.0420 5.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 0.3290 5.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8720 0.7790 5.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8020 -0.1360 5.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4960 -1.4930 6.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -1.9430 5.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 -3.6390 5.7160 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3360 0.4140 6.5380 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -2.7470 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 2.8280 1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 3.1120 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 2.0660 1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 2.5280 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 2.1270 -3.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 1.1040 -3.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 -0.8080 -2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0630 0.2750 -3.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 -0.9460 5.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -2.5370 4.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 1.0680 4.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1010 1.8410 5.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -2.2000 6.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 -2.2120 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -3.6200 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -3.0870 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5440 -0.3890 -4.9620 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0370 -1.2520 -5.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -0.6080 -4.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 0.3140 -5.6900 H 0 0 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 6 1 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 25 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 16 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 M CHG 1 42 1 M END