IBS-ZINC05461104 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 -1.3580 1.2340 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 -0.0760 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 -0.3360 0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 -1.5450 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -2.5010 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -2.2500 -1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 -1.0360 -1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -3.0920 -2.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -4.3500 -2.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -5.0840 -3.3700 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1010 -4.4650 -4.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -6.4650 -3.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -6.9910 -4.8590 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 -7.2630 -5.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 -7.8210 -6.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 -7.8780 -6.7290 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 -7.3380 -5.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 -7.0850 -5.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0370 -7.5650 -5.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 -6.7120 -6.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 -8.2530 -7.8480 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 -8.1230 -7.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9440 -8.4920 -8.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 -7.5400 -6.6080 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -7.0730 -5.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4970 -6.5470 -4.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1880 -7.4160 -6.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -8.8380 -9.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 -5.2470 -3.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 -4.3740 -2.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 1.9610 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 1.1150 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5710 1.6300 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 0.3990 1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 -1.7410 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -3.4250 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -0.8390 -1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 -4.1920 -2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -4.9250 -1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 -6.4330 -3.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -7.2050 -2.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 -6.5120 -4.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 -8.6210 -6.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8810 -7.5170 -5.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5930 -5.6800 -6.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 -6.7000 -7.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6360 -8.4060 -6.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5160 -6.7720 -7.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 -6.9970 -5.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -8.1030 -9.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 -9.1350 -9.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -9.7240 -8.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 -7.2510 -7.7150 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.6890 -6.7070 -8.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3960 -7.2180 -7.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3670 -8.2250 -8.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 28 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 2 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 53 56 1 0 0 0 0 M CHG 1 53 1 M END