IBS-ZINC04040161 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 0.2570 1.5810 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 0.0950 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -0.7270 1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -2.0450 0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -2.0390 -0.7050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -2.8590 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -0.7570 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 -0.4430 -2.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 0.6740 -3.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -1.6020 -3.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -1.4160 -4.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 -3.3190 1.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -0.2910 2.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -0.3630 3.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -0.0250 4.7220 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5160 -0.6270 5.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5720 -0.4870 5.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3600 -0.9380 4.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5080 -1.3440 4.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 -0.8450 2.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 -1.1140 1.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 -0.4720 6.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 0.6360 6.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1290 2.0290 8.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1920 -0.4430 8.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 1.4190 5.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 2.1020 5.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 3.4730 5.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 3.5400 4.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 2.2980 4.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 0.2070 2.8670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 1.8750 -0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 2.0050 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 2.0310 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -2.3990 -5.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -0.8070 -5.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 -0.9570 -4.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 -3.5620 1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -4.1500 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -3.2510 2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 -1.4490 6.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 -0.3700 7.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 1.6080 6.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 0.4750 6.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0670 2.0360 8.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4820 2.8560 8.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3150 2.0820 9.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5720 -1.3370 8.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1060 -0.5340 8.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4270 -0.2690 9.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 1.6710 6.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 4.3120 6.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 4.3540 4.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 0.8530 3.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4060 0.7380 8.2760 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.5290 0.7770 8.8140 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 7 2 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 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 55 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 55 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 31 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END