IBS-ZINC05025129 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 0.1650 1.3900 1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -0.1190 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -0.8450 2.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -2.3490 2.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 -2.6080 0.9720 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -1.9600 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -0.4440 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 -3.9740 0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -4.7790 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -6.1600 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -6.7810 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2180 -6.0360 0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 -4.5710 0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 -4.2000 0.9580 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0630 -5.1710 0.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5120 -6.2350 0.6600 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 -8.2440 0.1200 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2680 -8.6790 -1.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -9.0110 1.0650 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3060 -6.9260 0.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 -6.3530 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 -6.6130 -0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8180 -6.0480 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0820 -5.2180 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0880 -4.9570 1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 -5.5280 1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3520 -4.6440 0.6980 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4740 -3.3990 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4920 -2.8060 1.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8290 -2.7440 1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 1.7200 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 1.9060 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 1.6200 2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 -0.4500 1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7170 -0.4850 2.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -0.6520 3.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 -2.8680 3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 -2.7110 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 -2.1950 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -2.3240 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 0.0360 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0390 -0.0780 0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -4.3440 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 -7.8560 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 -7.2580 -1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5910 -6.2500 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2940 -4.3120 2.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 -5.3290 2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1430 -5.1420 0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5820 -3.4240 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0660 -2.5070 2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8200 -1.8270 0.6810 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 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 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 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END