IBS-ZINC02422170 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 61 0 0 1 0 0 0 0 0999 V2000 -0.4500 -1.3290 -0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -0.0410 -0.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6920 0.4970 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 0.8230 0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 2.1580 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 2.9510 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3720 2.4100 0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3720 1.0750 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 0.2810 0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -0.3730 1.2350 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 0.0560 1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 -0.4330 2.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -1.2390 3.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 -1.1580 2.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -1.7870 2.3990 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -2.4900 3.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 -3.1640 3.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 -3.8760 4.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6610 -3.9480 5.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -3.3100 5.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -2.5640 4.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -1.9380 4.3870 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5640 -0.2010 3.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6800 0.7540 4.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6050 -1.0390 3.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8120 -0.7440 3.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5610 -2.0450 4.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8540 -1.7300 5.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7340 -0.8160 4.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9840 0.4860 3.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6920 0.1700 3.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 0.8560 0.7660 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -1.8680 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 -1.0820 -1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -1.9550 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 2.5800 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 3.9940 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2280 3.0300 1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2290 0.6520 1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 -0.7620 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1650 -3.1170 2.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5690 -4.3910 4.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 -4.5190 6.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -3.3740 6.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5710 -0.2440 4.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9340 -2.6970 4.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8020 -2.5450 3.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6130 -1.2300 5.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3880 -2.6570 5.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6550 -0.5910 4.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9750 -1.3160 3.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7440 0.9860 4.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6120 1.1370 3.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9330 -0.3300 2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1580 1.0970 2.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 1.2270 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6580 1.0500 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 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 37 1 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 22 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 43 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 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 M END