IBS-ZINC01646903 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7020 1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0910 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.7480 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -3.9650 -0.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.0130 -1.2160 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6700 -1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.0400 -2.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -2.6890 -2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -2.5090 2.4800 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -1.4010 3.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -0.3380 2.4830 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -3.8960 2.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 -4.3990 2.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 -6.3070 3.5020 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4990 -5.8870 2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5780 -5.9130 4.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8970 -6.5580 5.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -7.8320 3.3810 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9200 -8.2170 3.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 -8.2210 2.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 -8.5760 0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 -8.9330 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 -8.9350 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -8.5810 0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -8.2280 1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -9.3160 -1.6060 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1410 -9.6280 -2.5570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -9.3180 -1.7110 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1490 -8.3840 4.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -2.8710 -2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 -2.0600 -3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -3.6390 -2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -1.3910 4.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -3.9440 3.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 -4.5200 2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -4.3500 1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1160 -3.7750 3.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6240 -6.2190 4.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5170 -4.8320 4.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 -6.3530 6.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1210 -8.5750 1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0710 -9.2100 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -8.5820 0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -7.9550 2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 -8.0850 4.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 -5.7890 3.4590 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -5.8710 4.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 12 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 16 51 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 31 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 31 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END