IFLAB-ZINC05147107 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7000 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0790 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7720 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0660 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6870 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.2560 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -5.0460 -1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -6.3640 -0.6860 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -7.6310 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -8.6680 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -7.9850 1.2300 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -6.3040 0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -5.0530 1.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -7.8310 -2.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 -7.7960 -3.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -7.6250 -2.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 -7.9550 -4.5310 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9730 -7.9240 -5.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0400 -6.9310 -6.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0190 -7.2800 -7.2010 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -7.1610 -6.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -8.1580 -5.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 -6.5000 -8.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 -6.6760 -9.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -5.9030 -10.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 -4.9560 -10.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 -4.7790 -9.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 -5.5520 -8.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1620 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6210 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.5980 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.1390 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -4.7120 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -9.7130 -0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -7.0370 -3.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 -8.7960 -2.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2580 -8.9170 -5.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6490 -7.6040 -4.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0280 -6.9760 -6.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8570 -5.9220 -5.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -7.3730 -7.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 -6.1490 -6.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -7.9920 -5.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 -9.1730 -5.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -7.4140 -9.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -6.0380 -11.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5290 -4.3530 -11.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0780 -4.0390 -9.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 -5.4160 -7.6090 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 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 15 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 14 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 M END