IBS-ZINC04599985 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 0.0010 1.8980 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 0.3850 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -0.2410 -0.0830 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 -0.4760 -1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 -0.2360 -2.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 -0.6000 -3.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7280 -1.2060 -3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 -1.4520 -1.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0650 -1.0910 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0460 -1.2020 0.4860 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -0.7080 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5710 -0.6650 2.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3820 -1.1420 3.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0040 -1.0940 4.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 -1.6040 5.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5070 -1.5560 6.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -1.0050 7.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -0.4980 6.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -0.5430 4.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -0.0390 4.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 -0.2020 4.2180 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 0.2850 3.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 0.3150 5.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 -1.9280 4.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 -2.6200 3.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6370 -3.9740 3.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 -4.6370 4.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 -3.9450 5.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 -2.5900 5.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 -6.1130 4.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 2.3640 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 2.2970 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 2.1130 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 0.1710 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -0.0140 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 0.2360 -2.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3430 -0.4130 -4.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4500 -1.4870 -3.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9250 -1.9240 -1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3290 -1.5700 2.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8160 -2.0330 5.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 -1.9490 7.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -0.9720 8.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 -0.0710 6.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 0.4080 3.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 -2.1030 2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8550 -4.5150 2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 -4.4620 6.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 -2.0480 6.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9990 -6.2640 4.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 -6.5610 5.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -6.5830 3.5060 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 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 11 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 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 49 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 END