IBS-ZINC04090384 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 1 0 0 0 0 0999 V2000 1.6920 -0.8230 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -0.7480 -0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 0.1480 -1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -1.9560 -1.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 -0.5880 -0.3290 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8180 0.2270 0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6200 -0.2560 -1.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 -1.1280 -2.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 1.0620 -1.9080 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 1.6500 -3.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1820 0.9820 -3.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 1.7120 -2.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 0.7210 -2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 2.7060 -1.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7050 2.0100 -3.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7370 3.0450 -3.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 3.5030 -2.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -1.7910 0.2490 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -2.0650 1.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 -1.3980 2.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 -3.1210 1.9370 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2740 -3.5530 0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4750 -4.2930 1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4800 -4.4920 0.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3510 -4.8290 2.7860 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 -4.6450 3.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -3.8000 3.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 -3.6710 4.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 -4.3420 5.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -5.1570 5.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 -5.3100 4.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 -0.7940 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 0.0240 1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 -1.7490 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -2.8990 -1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -1.8950 -2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0320 -1.9970 -1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 1.7600 -1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 2.4840 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9770 3.7370 -1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2620 2.6540 -1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4530 1.3290 -4.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7700 1.8790 -3.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5720 3.0380 -4.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 -2.4330 -0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6650 -2.6720 0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7930 -4.2110 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1310 -5.3850 3.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 -3.0650 3.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -4.2230 5.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 -5.6750 6.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0240 -5.9530 5.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0380 3.5240 -4.5130 O 0 5 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 4 1 0 0 0 0 2 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 53 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 M CHG 1 53 -1 M END