IBS-ZINC04312189 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 2.2950 -1.0460 -1.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -1.0460 -0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 -1.7170 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -1.7170 1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -1.0400 0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -0.3680 -0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -0.3600 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 0.3660 -2.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -0.3780 -3.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 -1.8650 -3.9670 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4050 -2.4130 -3.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 -2.1270 -5.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -0.9550 -6.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -0.8140 -7.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 0.1370 -5.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 1.4430 -5.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -3.4340 -6.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -3.6780 -6.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 -3.2800 -7.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0520 -3.5250 -7.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7520 -4.1540 -6.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1460 -4.5200 -5.5020 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 -4.3080 -5.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 -2.2660 -3.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 -3.0540 -2.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9400 -3.4220 -1.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1310 -3.0030 -2.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1200 -2.2140 -3.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 -1.8430 -3.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 1.5810 -2.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -2.3800 2.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -2.3400 3.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -1.9400 -2.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 -0.1600 -2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1930 -1.0380 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 -2.2440 0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0490 -1.0430 1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 0.1580 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -3.4500 -7.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -4.2130 -5.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 -2.7900 -8.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5540 -3.2280 -8.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8070 -4.3490 -6.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 -4.6250 -4.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 -3.3820 -1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9490 -4.0380 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0710 -3.2910 -1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0500 -1.8870 -3.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 -1.2240 -4.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 1.6290 -6.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -1.3050 3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0170 -2.7750 2.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -2.9070 4.0400 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 30 2 0 0 0 0 9 10 1 0 0 0 0 9 15 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 23 44 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 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 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 29 49 1 0 0 0 0 31 32 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 M END