corina 3.20 0026 11.05.2005 joha 27. 09. 2005 15:59 nirvana.com Input file type MDL SDFile Output file type MDL SDFile Writing compact SDFiles INFORMATION corina(): Annual license expires on October 30, 2005 Options: Writing added hydrogen atoms Generating multiple ring conformations Generating a maximum of 15 ring conformations Generating ring conformations simultaneously Inverting flippy ring nitrogen atoms Applying an energy window of 30.0 kJ/mol Setting RMS for similar conformations set to 0.30 A Adding conformer count to names Generating stereo isomers Processing a maximum number of 5 stereo centers Generating a maximum of 13 stereo isomers Preserving pre-defined configurations Adding isomer counts to compound names Removing 2D records from the output Writing failed/erroneous molecules to a_kegg_filter_1_2ndtry_corina_error.sdf Standard values, version 3.3 February, 2005 Ring templates, version 3.0 March, 2001 Torsion angle library, version December, 1999 (1088 entries, all rights CCDC, Cambridge, UK) *** RECORD no.: 1 read *********************** Name C00002 1 isomer(s) generated isomer 1: 31 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 2 read *********************** Name C00003 1 isomer(s) generated isomer 1: 44 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 3 read *********************** Name C00004 1 isomer(s) generated isomer 1: 44 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 4 read *********************** Name C00005 1 isomer(s) generated isomer 1: 48 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 5 read *********************** Name C00006 1 isomer(s) generated isomer 1: 48 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 70 ms *** RECORD no.: 6 read *********************** Name C00008 1 isomer(s) generated isomer 1: 27 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 7 read *********************** Name C00010 1 stereo center(s) 2 isomer(s) generated isomer 1: 48 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 48 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 200 ms *** RECORD no.: 8 read *********************** Name C00015 1 isomer(s) generated isomer 1: 25 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 9 read *********************** Name C00016 3 stereo center(s) 8 isomer(s) generated isomer 1: 53 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated isomer 2: 53 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated isomer 3: 53 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated isomer 4: 53 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated isomer 5: 53 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated isomer 6: 53 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated isomer 7: 53 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated isomer 8: 53 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated Elapsed time: 500 ms *** RECORD no.: 10 read *********************** Name C00018 1 isomer(s) generated isomer 1: 16 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 11 read *********************** Name C00019 1 stereo center(s) 2 isomer(s) generated isomer 1: 27 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 27 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 80 ms *** RECORD no.: 12 read *********************** Name C00020 1 isomer(s) generated isomer 1: 23 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 13 read *********************** Name C00021 1 isomer(s) generated isomer 1: 26 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 14 read *********************** Name C00022 1 isomer(s) generated isomer 1: 6 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 15 read *********************** Name C00024 1 stereo center(s) 2 isomer(s) generated isomer 1: 51 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 51 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 270 ms *** RECORD no.: 16 read *********************** Name C00025 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 17 read *********************** Name C00026 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 18 read *********************** Name C00029 1 stereo center(s) 2 isomer(s) generated isomer 1: 36 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 36 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated Elapsed time: 180 ms *** RECORD no.: 19 read *********************** Name C00033 1 isomer(s) generated isomer 1: 4 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 20 read *********************** Name C00035 1 isomer(s) generated isomer 1: 28 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 21 read *********************** Name C00036 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 22 read *********************** Name C00037 1 isomer(s) generated isomer 1: 5 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 23 read *********************** Name C00041 1 isomer(s) generated isomer 1: 6 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 24 read *********************** Name C00042 1 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 25 read *********************** Name C00043 1 stereo center(s) 2 isomer(s) generated isomer 1: 39 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated isomer 2: 39 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 230 ms *** RECORD no.: 26 read *********************** Name C00044 1 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 27 read *********************** Name C00047 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 28 read *********************** Name C00048 1 isomer(s) generated isomer 1: 5 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 29 read *********************** Name C00049 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 30 read *********************** Name C00051 1 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 31 read *********************** Name C00052 2 stereo center(s) 4 isomer(s) generated isomer 1: 36 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 36 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated isomer 3: 36 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 4: 36 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated Elapsed time: 310 ms *** RECORD no.: 32 read *********************** Name C00053 1 isomer(s) generated isomer 1: 31 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 33 read *********************** Name C00054 1 isomer(s) generated isomer 1: 27 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 34 read *********************** Name C00055 1 isomer(s) generated isomer 1: 21 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 35 read *********************** Name C00061 3 stereo center(s) 8 isomer(s) generated isomer 1: 31 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 31 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 3: 31 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 4: 31 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 5: 31 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 6: 31 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 7: 31 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 8: 31 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 70 ms *** RECORD no.: 36 read *********************** Name C00062 1 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 37 read *********************** Name C00063 1 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 38 read *********************** Name C00064 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 39 read *********************** Name C00065 1 isomer(s) generated isomer 1: 7 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 40 read *********************** Name C00068 1 isomer(s) generated isomer 1: 26 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 41 read *********************** Name C00072 1 stereo center(s) 2 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 12 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 42 read *********************** Name C00073 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 43 read *********************** Name C00074 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 44 read *********************** Name C00075 1 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 45 read *********************** Name C00077 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 46 read *********************** Name C00078 1 isomer(s) generated isomer 1: 15 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 47 read *********************** Name C00079 1 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 48 read *********************** Name C00081 1 isomer(s) generated isomer 1: 31 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 49 read *********************** Name C00082 1 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 50 read *********************** Name C00083 1 stereo center(s) 2 isomer(s) generated isomer 1: 54 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 54 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 280 ms *** RECORD no.: 51 read *********************** Name C00085 1 stereo center(s) 2 isomer(s) generated isomer 1: 16 atoms INFORMATION gen3d(): 8 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 8 conformation(s) generated isomer 2: 16 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 52 read *********************** Name C00086 1 isomer(s) generated isomer 1: 4 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 53 read *********************** Name C00090 1 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 54 read *********************** Name C00091 1 stereo center(s) 2 isomer(s) generated isomer 1: 55 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 55 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 290 ms *** RECORD no.: 55 read *********************** Name C00092 1 stereo center(s) 2 isomer(s) generated isomer 1: 16 atoms INFORMATION gen3d(): 11 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 11 conformation(s) generated isomer 2: 16 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated Elapsed time: 60 ms *** RECORD no.: 56 read *********************** Name C00093 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 57 read *********************** Name C00096 1 isomer(s) generated isomer 1: 39 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 58 read *********************** Name C00097 1 isomer(s) generated isomer 1: 7 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 59 read *********************** Name C00099 1 isomer(s) generated isomer 1: 6 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 60 read *********************** Name C00100 1 stereo center(s) 2 isomer(s) generated isomer 1: 52 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 52 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 240 ms *** RECORD no.: 61 read *********************** Name C00101 1 stereo center(s) 2 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 5 conformation(s) cached INFORMATION gen3d(): 5 conformation(s) generated isomer 2: 33 atoms INFORMATION gen3d(): 5 conformation(s) cached INFORMATION gen3d(): 5 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 62 read *********************** Name C00102 1 stereo center(s) 1 isomer(s) generated isomer 1: 17 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 63 read *********************** Name C00103 1 stereo center(s) 2 isomer(s) generated isomer 1: 16 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 16 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 64 read *********************** Name C00104 1 isomer(s) generated isomer 1: 27 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 65 read *********************** Name C00105 1 isomer(s) generated isomer 1: 21 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 66 read *********************** Name C00106 1 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 67 read *********************** Name C00108 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 68 read *********************** Name C00109 1 isomer(s) generated isomer 1: 7 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 69 read *********************** Name C00110 1 stereo center(s) 2 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 20 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 70 read *********************** Name C00111 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 71 read *********************** Name C00112 1 isomer(s) generated isomer 1: 25 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 72 read *********************** Name C00113 1 isomer(s) generated isomer 1: 24 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 73 read *********************** Name C00117 1 stereo center(s) 2 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated isomer 2: 14 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 74 read *********************** Name C00118 1 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 75 read *********************** Name C00119 1 isomer(s) generated isomer 1: 22 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 76 read *********************** Name C00120 1 isomer(s) generated isomer 1: 18 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 77 read *********************** Name C00122 1 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 78 read *********************** Name C00123 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 79 read *********************** Name C00127 1 isomer(s) generated isomer 1: 40 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 80 read *********************** Name C00128 1 isomer(s) generated isomer 1: 42 atoms INFORMATION gen3d(): 9 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 81 read *********************** Name C00129 1 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 82 read *********************** Name C00130 1 isomer(s) generated isomer 1: 23 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 83 read *********************** Name C00131 1 isomer(s) generated isomer 1: 30 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 84 read *********************** Name C00133 1 isomer(s) generated isomer 1: 6 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 85 read *********************** Name C00135 1 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 86 read *********************** Name C00136 1 stereo center(s) 2 isomer(s) generated isomer 1: 53 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 53 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 220 ms *** RECORD no.: 87 read *********************** Name C00140 1 stereo center(s) 2 isomer(s) generated isomer 1: 15 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated isomer 2: 15 atoms INFORMATION gen3d(): 11 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 11 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 88 read *********************** Name C00141 1 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 89 read *********************** Name C00143 2 stereo center(s) 4 isomer(s) generated isomer 1: 34 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 34 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 3: 34 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated isomer 4: 34 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated Elapsed time: 140 ms *** RECORD no.: 90 read *********************** Name C00144 1 isomer(s) generated isomer 1: 24 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 91 read *********************** Name C00146 1 isomer(s) generated isomer 1: 7 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 92 read *********************** Name C00147 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 93 read *********************** Name C00148 1 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 5 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 94 read *********************** Name C00149 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 95 read *********************** Name C00152 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 96 read *********************** Name C00153 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 97 read *********************** Name C00154 1 stereo center(s) 2 isomer(s) generated isomer 1: 65 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 65 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 330 ms *** RECORD no.: 98 read *********************** Name C00155 1 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 99 read *********************** Name C00156 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 100 read *********************** Name C00158 1 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 101 read *********************** Name C00160 1 isomer(s) generated isomer 1: 5 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 102 read *********************** Name C00163 1 isomer(s) generated isomer 1: 5 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 103 read *********************** Name C00164 1 isomer(s) generated isomer 1: 7 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 104 read *********************** Name C00166 1 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 105 read *********************** Name C00167 1 isomer(s) generated isomer 1: 37 atoms INFORMATION gen3d(): 12 conformation(s) cached INFORMATION gen3d(): 12 conformation(s) generated Elapsed time: 70 ms *** RECORD no.: 106 read *********************** Name C00168 1 isomer(s) generated isomer 1: 7 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 107 read *********************** Name C00169 1 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 108 read *********************** Name C00170 1 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 109 read *********************** Name C00178 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 110 read *********************** Name C00179 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 111 read *********************** Name C00180 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 112 read *********************** Name C00183 1 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 113 read *********************** Name C00186 1 isomer(s) generated isomer 1: 6 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 114 read *********************** Name C00188 1 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 115 read *********************** Name C00190 2 stereo center(s) 4 isomer(s) generated isomer 1: 34 atoms INFORMATION gen3d(): 13 conformation(s) cached INFORMATION gen3d(): 13 conformation(s) generated isomer 2: 34 atoms INFORMATION gen3d(): 12 conformation(s) cached INFORMATION gen3d(): 12 conformation(s) generated isomer 3: 34 atoms INFORMATION gen3d(): 13 conformation(s) cached INFORMATION gen3d(): 13 conformation(s) generated isomer 4: 34 atoms INFORMATION gen3d(): 12 conformation(s) cached INFORMATION gen3d(): 12 conformation(s) generated Elapsed time: 260 ms *** RECORD no.: 116 read *********************** Name C00191 1 stereo center(s) 2 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 11 conformation(s) cached INFORMATION gen3d(): 11 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 12 conformation(s) cached INFORMATION gen3d(): 12 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 117 read *********************** Name C00196 1 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 118 read *********************** Name C00197 1 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 119 read *********************** Name C00198 1 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 12 conformation(s) cached INFORMATION gen3d(): 12 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 120 read *********************** Name C00199 1 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 121 read *********************** Name C00200 1 isomer(s) generated isomer 1: 15 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 122 read *********************** Name C00202 1 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 123 read *********************** Name C00203 2 stereo center(s) 4 isomer(s) generated isomer 1: 39 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated isomer 2: 39 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 3: 39 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated isomer 4: 39 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 280 ms *** RECORD no.: 124 read *********************** Name C00204 2 stereo center(s) 4 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 3: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 4: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 125 read *********************** Name C00206 1 isomer(s) generated isomer 1: 26 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 126 read *********************** Name C00209 1 isomer(s) generated isomer 1: 6 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 127 read *********************** Name C00212 1 isomer(s) generated isomer 1: 19 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 128 read *********************** Name C00213 1 isomer(s) generated isomer 1: 6 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 129 read *********************** Name C00214 1 isomer(s) generated isomer 1: 17 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 130 read *********************** Name C00217 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 131 read *********************** Name C00219 1 isomer(s) generated isomer 1: 22 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 132 read *********************** Name C00220 1 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 133 read *********************** Name C00222 1 isomer(s) generated isomer 1: 6 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 134 read *********************** Name C00223 1 stereo center(s) 2 isomer(s) generated isomer 1: 59 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 59 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 340 ms *** RECORD no.: 135 read *********************** Name C00224 1 isomer(s) generated isomer 1: 27 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 136 read *********************** Name C00225 1 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 137 read *********************** Name C00227 1 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 138 read *********************** Name C00230 1 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 139 read *********************** Name C00231 1 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 140 read *********************** Name C00232 1 isomer(s) generated isomer 1: 7 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 141 read *********************** Name C00233 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 142 read *********************** Name C00234 2 stereo center(s) 4 isomer(s) generated isomer 1: 34 atoms INFORMATION gen3d(): 5 conformation(s) cached INFORMATION gen3d(): 5 conformation(s) generated isomer 2: 34 atoms INFORMATION gen3d(): 5 conformation(s) cached INFORMATION gen3d(): 5 conformation(s) generated isomer 3: 34 atoms INFORMATION gen3d(): 5 conformation(s) cached INFORMATION gen3d(): 5 conformation(s) generated isomer 4: 34 atoms INFORMATION gen3d(): 5 conformation(s) cached INFORMATION gen3d(): 5 conformation(s) generated Elapsed time: 160 ms *** RECORD no.: 143 read *********************** Name C00235 1 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 144 read *********************** Name C00236 1 isomer(s) generated isomer 1: 15 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 145 read *********************** Name C00239 1 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 146 read *********************** Name C00242 1 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 147 read *********************** Name C00246 1 isomer(s) generated isomer 1: 6 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 148 read *********************** Name C00248 1 stereo center(s) 2 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 5 conformation(s) generated isomer 2: 12 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 5 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 149 read *********************** Name C00249 1 isomer(s) generated isomer 1: 18 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 150 read *********************** Name C00250 1 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 151 read *********************** Name C00251 1 isomer(s) generated isomer 1: 16 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 152 read *********************** Name C00253 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 153 read *********************** Name C00254 1 isomer(s) generated isomer 1: 17 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 154 read *********************** Name C00255 1 isomer(s) generated isomer 1: 27 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 155 read *********************** Name C00256 1 isomer(s) generated isomer 1: 6 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 156 read *********************** Name C00257 4 stereo center(s) 13 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 3: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 4: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 5: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 6: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 7: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 8: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 9: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 10: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 11: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 12: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 13: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 157 read *********************** Name C00258 1 isomer(s) generated isomer 1: 7 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 158 read *********************** Name C00262 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 159 read *********************** Name C00263 1 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 160 read *********************** Name C00268 3 stereo center(s) 8 isomer(s) generated isomer 1: 17 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 2: 17 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 3: 17 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 4: 17 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 5: 17 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 6: 17 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 7: 17 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 8: 17 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 70 ms *** RECORD no.: 161 read *********************** Name C00270 1 stereo center(s) 2 isomer(s) generated isomer 1: 21 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated isomer 2: 21 atoms INFORMATION gen3d(): 9 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 162 read *********************** Name C00272 3 stereo center(s) 8 isomer(s) generated isomer 1: 17 atoms INFORMATION gen3d(): 5 conformation(s) cached INFORMATION gen3d(): 5 conformation(s) generated isomer 2: 17 atoms INFORMATION gen3d(): 5 conformation(s) cached INFORMATION gen3d(): 5 conformation(s) generated isomer 3: 17 atoms INFORMATION gen3d(): 5 conformation(s) cached INFORMATION gen3d(): 5 conformation(s) generated isomer 4: 17 atoms INFORMATION gen3d(): 5 conformation(s) cached INFORMATION gen3d(): 5 conformation(s) generated isomer 5: 17 atoms INFORMATION gen3d(): 5 conformation(s) cached INFORMATION gen3d(): 5 conformation(s) generated isomer 6: 17 atoms INFORMATION gen3d(): 5 conformation(s) cached INFORMATION gen3d(): 5 conformation(s) generated isomer 7: 17 atoms INFORMATION gen3d(): 5 conformation(s) cached INFORMATION gen3d(): 5 conformation(s) generated isomer 8: 17 atoms INFORMATION gen3d(): 5 conformation(s) cached INFORMATION gen3d(): 5 conformation(s) generated Elapsed time: 150 ms *** RECORD no.: 163 read *********************** Name C00275 1 isomer(s) generated isomer 1: 16 atoms INFORMATION gen3d(): 11 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 11 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 164 read *********************** Name C00279 2 stereo center(s) 4 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 3: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 4: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 165 read *********************** Name C00281 4 stereo center(s) 13 isomer(s) generated isomer 1: 18 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 18 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 3: 18 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 4: 18 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 5: 18 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 6: 18 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 7: 18 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 8: 18 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 9: 18 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 10: 18 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 11: 18 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 12: 18 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 13: 18 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 166 read *********************** Name C00284 1 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 167 read *********************** Name C00286 1 isomer(s) generated isomer 1: 31 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 168 read *********************** Name C00288 1 isomer(s) generated isomer 1: 4 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 169 read *********************** Name C00290 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 170 read *********************** Name C00292 1 isomer(s) generated isomer 1: 7 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 171 read *********************** Name C00294 1 isomer(s) generated isomer 1: 19 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 172 read *********************** Name C00295 1 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 173 read *********************** Name C00296 1 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 11 conformation(s) cached INFORMATION gen3d(): 11 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 174 read *********************** Name C00299 1 isomer(s) generated isomer 1: 17 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 175 read *********************** Name C00300 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 176 read *********************** Name C00301 1 isomer(s) generated isomer 1: 36 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 177 read *********************** Name C00302 1 stereo center(s) 2 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 178 read *********************** Name C00303 1 stereo center(s) 2 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 179 read *********************** Name C00307 1 isomer(s) generated isomer 1: 31 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 180 read *********************** Name C00308 1 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 181 read *********************** Name C00311 2 stereo center(s) 4 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 3: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 4: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 182 read *********************** Name C00313 1 stereo center(s) 2 isomer(s) generated isomer 1: 53 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 53 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 190 ms *** RECORD no.: 183 read *********************** Name C00314 1 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 184 read *********************** Name C00318 1 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 185 read *********************** Name C00322 1 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 186 read *********************** Name C00323 1 stereo center(s) 2 isomer(s) generated isomer 1: 60 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 60 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 240 ms *** RECORD no.: 187 read *********************** Name C00325 1 stereo center(s) 2 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 11 conformation(s) cached INFORMATION gen3d(): 11 conformation(s) generated isomer 2: 38 atoms INFORMATION gen3d(): 13 conformation(s) cached INFORMATION gen3d(): 13 conformation(s) generated Elapsed time: 170 ms *** RECORD no.: 188 read *********************** Name C00326 1 stereo center(s) 2 isomer(s) generated isomer 1: 51 atoms INFORMATION gen3d(): 11 conformation(s) cached WARNING rrefine(): 3 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 11 conformation(s) generated isomer 2: 51 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated Elapsed time: 450 ms *** RECORD no.: 189 read *********************** Name C00327 1 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 190 read *********************** Name C00328 1 isomer(s) generated isomer 1: 15 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 191 read *********************** Name C00330 1 isomer(s) generated isomer 1: 19 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 192 read *********************** Name C00331 1 isomer(s) generated isomer 1: 15 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 193 read *********************** Name C00332 1 stereo center(s) 2 isomer(s) generated isomer 1: 54 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 54 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 270 ms *** RECORD no.: 194 read *********************** Name C00333 1 stereo center(s) 2 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 11 conformation(s) cached INFORMATION gen3d(): 11 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 195 read *********************** Name C00334 1 isomer(s) generated isomer 1: 7 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 196 read *********************** Name C00337 1 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 197 read *********************** Name C00341 1 isomer(s) generated isomer 1: 19 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 198 read *********************** Name C00345 1 isomer(s) generated isomer 1: 17 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 199 read *********************** Name C00346 1 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 200 read *********************** Name C00348 1 isomer(s) generated isomer 1: 60 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 170 ms *** RECORD no.: 201 read *********************** Name C00349 1 stereo center(s) 2 isomer(s) generated isomer 1: 7 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 7 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 202 read *********************** Name C00352 1 isomer(s) generated isomer 1: 16 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 203 read *********************** Name C00353 1 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 204 read *********************** Name C00354 1 stereo center(s) 2 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 8 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 8 conformation(s) generated isomer 2: 20 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 205 read *********************** Name C00355 1 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 206 read *********************** Name C00356 1 stereo center(s) 2 isomer(s) generated isomer 1: 58 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 58 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 400 ms *** RECORD no.: 207 read *********************** Name C00357 1 isomer(s) generated isomer 1: 19 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 208 read *********************** Name C00360 1 isomer(s) generated isomer 1: 22 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 209 read *********************** Name C00361 1 isomer(s) generated isomer 1: 27 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 210 read *********************** Name C00362 1 isomer(s) generated isomer 1: 23 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 211 read *********************** Name C00363 1 isomer(s) generated isomer 1: 25 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 212 read *********************** Name C00364 1 isomer(s) generated isomer 1: 21 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 213 read *********************** Name C00365 1 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 214 read *********************** Name C00366 1 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 215 read *********************** Name C00371 1 isomer(s) generated isomer 1: 16 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 216 read *********************** Name C00373 1 isomer(s) generated isomer 1: 39 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 220 ms *** RECORD no.: 217 read *********************** Name C00378 1 isomer(s) generated isomer 1: 18 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 218 read *********************** Name C00380 1 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 219 read *********************** Name C00383 1 isomer(s) generated isomer 1: 7 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 220 read *********************** Name C00385 1 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 221 read *********************** Name C00386 1 isomer(s) generated isomer 1: 16 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 222 read *********************** Name C00387 1 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 223 read *********************** Name C00388 1 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 224 read *********************** Name C00389 1 isomer(s) generated isomer 1: 22 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 225 read *********************** Name C00390 1 isomer(s) generated isomer 1: 23 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 226 read *********************** Name C00394 2 stereo center(s) 4 isomer(s) generated isomer 1: 39 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 39 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated isomer 3: 39 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 4: 39 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated Elapsed time: 260 ms *** RECORD no.: 227 read *********************** Name C00396 1 isomer(s) generated isomer 1: 6 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 228 read *********************** Name C00398 1 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 229 read *********************** Name C00399 1 isomer(s) generated isomer 1: 23 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 230 read *********************** Name C00402 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 231 read *********************** Name C00406 1 stereo center(s) 2 isomer(s) generated isomer 1: 61 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 61 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 260 ms *** RECORD no.: 232 read *********************** Name C00407 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 233 read *********************** Name C00408 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 11 conformation(s) cached INFORMATION gen3d(): 11 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 234 read *********************** Name C00411 1 stereo center(s) 2 isomer(s) generated isomer 1: 63 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 63 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 250 ms *** RECORD no.: 235 read *********************** Name C00412 1 stereo center(s) 2 isomer(s) generated isomer 1: 67 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 67 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 350 ms *** RECORD no.: 236 read *********************** Name C00413 1 isomer(s) generated isomer 1: 40 atoms INFORMATION gen3d(): 14 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 14 conformation(s) generated Elapsed time: 250 ms *** RECORD no.: 237 read *********************** Name C00415 1 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 238 read *********************** Name C00417 1 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 239 read *********************** Name C00418 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 240 read *********************** Name C00423 1 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 241 read *********************** Name C00425 2 stereo center(s) 4 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 12 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 3: 12 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 4: 12 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 242 read *********************** Name C00427 1 isomer(s) generated isomer 1: 25 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 243 read *********************** Name C00429 1 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 244 read *********************** Name C00430 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 245 read *********************** Name C00431 1 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 246 read *********************** Name C00433 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 247 read *********************** Name C00436 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 248 read *********************** Name C00437 1 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 249 read *********************** Name C00438 1 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 250 read *********************** Name C00439 1 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 251 read *********************** Name C00440 1 stereo center(s) 2 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated isomer 2: 33 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated Elapsed time: 70 ms *** RECORD no.: 252 read *********************** Name C00441 1 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 253 read *********************** Name C00442 1 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 5 conformation(s) cached INFORMATION gen3d(): 5 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 254 read *********************** Name C00445 1 stereo center(s) 2 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated isomer 2: 33 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 255 read *********************** Name C00446 1 isomer(s) generated isomer 1: 16 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 256 read *********************** Name C00447 4 stereo center(s) 13 isomer(s) generated isomer 1: 22 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 22 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 3: 22 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 4: 22 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 5: 22 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 6: 22 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 7: 22 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 8: 22 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 9: 22 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 10: 22 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 11: 22 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 12: 22 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 13: 22 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 70 ms *** RECORD no.: 257 read *********************** Name C00448 1 isomer(s) generated isomer 1: 24 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 258 read *********************** Name C00449 1 isomer(s) generated isomer 1: 19 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 259 read *********************** Name C00450 1 stereo center(s) 2 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated isomer 2: 9 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 260 read *********************** Name C00451 1 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 261 read *********************** Name C00455 1 isomer(s) generated isomer 1: 22 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 262 read *********************** Name C00458 1 isomer(s) generated isomer 1: 28 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 263 read *********************** Name C00459 1 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 264 read *********************** Name C00460 1 isomer(s) generated isomer 1: 28 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 265 read *********************** Name C00463 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 266 read *********************** Name C00465 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 267 read *********************** Name C00468 1 isomer(s) generated isomer 1: 23 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 268 read *********************** Name C00470 2 stereo center(s) 4 isomer(s) generated isomer 1: 37 atoms INFORMATION gen3d(): 11 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 20 pair(s) of crowded atoms ERROR quality(): Bad contacts detected ERROR gen3d(): 3D structure didn't pass the quality check ERROR gen3d(): Unable to build a single conformation INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 37 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 20 pair(s) of crowded atoms ERROR quality(): Bad contacts detected ERROR gen3d(): 3D structure didn't pass the quality check ERROR gen3d(): Unable to build a single conformation INFORMATION gen3d(): 11 conformation(s) generated isomer 3: 37 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 8 pair(s) of crowded atoms WARNING rrefine(): 6 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated isomer 4: 37 atoms INFORMATION gen3d(): 12 conformation(s) cached INFORMATION gen3d(): 12 conformation(s) generated Elapsed time: 600 ms *** RECORD no.: 269 read *********************** Name C00475 1 isomer(s) generated isomer 1: 17 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 270 read *********************** Name C00478 1 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 271 read *********************** Name C00481 1 isomer(s) generated isomer 1: 5 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 272 read *********************** Name C00482 1 isomer(s) generated isomer 1: 16 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 273 read *********************** Name C00483 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 274 read *********************** Name C00485 1 isomer(s) generated isomer 1: 7 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 275 read *********************** Name C00486 1 isomer(s) generated isomer 1: 43 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 276 read *********************** Name C00487 1 stereo center(s) 2 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 277 read *********************** Name C00489 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 278 read *********************** Name C00490 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 279 read *********************** Name C00491 1 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 280 read *********************** Name C00493 1 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 281 read *********************** Name C00494 1 isomer(s) generated isomer 1: 31 atoms INFORMATION gen3d(): 13 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 13 conformation(s) generated Elapsed time: 210 ms *** RECORD no.: 282 read *********************** Name C00495 1 isomer(s) generated isomer 1: 24 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 283 read *********************** Name C00497 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 284 read *********************** Name C00498 1 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 285 read *********************** Name C00499 1 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 286 read *********************** Name C00500 1 isomer(s) generated isomer 1: 43 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 287 read *********************** Name C00501 1 isomer(s) generated isomer 1: 36 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 288 read *********************** Name C00502 3 stereo center(s) 8 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 3: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 4: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 5: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 6: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 7: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 8: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 289 read *********************** Name C00504 1 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 290 read *********************** Name C00506 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 291 read *********************** Name C00509 1 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 292 read *********************** Name C00510 1 stereo center(s) 2 isomer(s) generated isomer 1: 67 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 67 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 630 ms *** RECORD no.: 293 read *********************** Name C00511 1 isomer(s) generated isomer 1: 5 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 294 read *********************** Name C00512 1 stereo center(s) 2 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 56 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 250 ms *** RECORD no.: 295 read *********************** Name C00513 1 stereo center(s) 2 isomer(s) generated isomer 1: 30 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 30 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 60 ms *** RECORD no.: 296 read *********************** Name C00514 4 stereo center(s) 13 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 3: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 4: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 5: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 6: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 7: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 8: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 9: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 10: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 11: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 12: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 13: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 297 read *********************** Name C00515 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 298 read *********************** Name C00522 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 299 read *********************** Name C00525 1 isomer(s) generated isomer 1: 15 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 300 read *********************** Name C00526 1 isomer(s) generated isomer 1: 16 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 301 read *********************** Name C00527 1 stereo center(s) 2 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 56 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 220 ms *** RECORD no.: 302 read *********************** Name C00528 2 stereo center(s) 4 isomer(s) generated isomer 1: 61 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated isomer 2: 61 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated isomer 3: 61 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 4: 61 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 1250 ms *** RECORD no.: 303 read *********************** Name C00530 1 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 304 read *********************** Name C00531 1 stereo center(s) 2 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 56 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 320 ms *** RECORD no.: 305 read *********************** Name C00534 1 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 306 read *********************** Name C00540 1 stereo center(s) 2 isomer(s) generated isomer 1: 58 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 58 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 350 ms *** RECORD no.: 307 read *********************** Name C00542 1 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 308 read *********************** Name C00544 1 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 309 read *********************** Name C00545 2 stereo center(s) 4 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 3: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 4: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 310 read *********************** Name C00547 1 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 311 read *********************** Name C00548 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 312 read *********************** Name C00549 2 stereo center(s) 4 isomer(s) generated isomer 1: 57 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated isomer 2: 57 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated isomer 3: 57 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 4: 57 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 720 ms *** RECORD no.: 313 read *********************** Name C00552 2 stereo center(s) 3 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 3: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 314 read *********************** Name C00558 1 stereo center(s) 2 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 315 read *********************** Name C00559 1 isomer(s) generated isomer 1: 18 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 316 read *********************** Name C00563 1 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 11 conformation(s) cached INFORMATION gen3d(): 11 conformation(s) generated Elapsed time: 280 ms *** RECORD no.: 317 read *********************** Name C00566 1 stereo center(s) 2 isomer(s) generated isomer 1: 60 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 60 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 340 ms *** RECORD no.: 318 read *********************** Name C00568 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 319 read *********************** Name C00570 1 isomer(s) generated isomer 1: 28 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 320 read *********************** Name C00575 1 isomer(s) generated isomer 1: 22 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 321 read *********************** Name C00579 1 stereo center(s) 2 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 322 read *********************** Name C00581 1 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 323 read *********************** Name C00582 1 stereo center(s) 2 isomer(s) generated isomer 1: 57 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 57 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 340 ms *** RECORD no.: 324 read *********************** Name C00584 1 isomer(s) generated isomer 1: 25 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 80 ms *** RECORD no.: 325 read *********************** Name C00587 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 326 read *********************** Name C00588 1 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 327 read *********************** Name C00590 1 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 328 read *********************** Name C00596 1 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 329 read *********************** Name C00597 1 stereo center(s) 2 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 330 read *********************** Name C00603 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 331 read *********************** Name C00604 1 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 332 read *********************** Name C00606 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 333 read *********************** Name C00611 1 isomer(s) generated isomer 1: 26 atoms INFORMATION gen3d(): 11 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 11 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 334 read *********************** Name C00612 1 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 335 read *********************** Name C00616 1 isomer(s) generated isomer 1: 26 atoms INFORMATION gen3d(): 1 conformation(s) cached WARNING rrefine(): 7 pair(s) of crowded atoms ERROR quality(): Bad contacts detected ERROR gen3d(): 3D structure didn't pass the quality check ERROR gen3d(): Unable to build a single conformation Dumping original record into error file Elapsed time: 20 ms *** RECORD no.: 336 read *********************** Name C00617 2 stereo center(s) 4 isomer(s) generated isomer 1: 37 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 37 atoms INFORMATION gen3d(): 12 conformation(s) cached INFORMATION gen3d(): 12 conformation(s) generated isomer 3: 37 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 4: 37 atoms INFORMATION gen3d(): 12 conformation(s) cached INFORMATION gen3d(): 12 conformation(s) generated Elapsed time: 340 ms *** RECORD no.: 337 read *********************** Name C00618 1 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 338 read *********************** Name C00620 1 stereo center(s) 2 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 5 conformation(s) cached INFORMATION gen3d(): 5 conformation(s) generated isomer 2: 14 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 339 read *********************** Name C00621 1 stereo center(s) 2 isomer(s) generated isomer 1: 24 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 24 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 340 read *********************** Name C00623 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 341 read *********************** Name C00624 1 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 342 read *********************** Name C00627 1 isomer(s) generated isomer 1: 16 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 343 read *********************** Name C00628 1 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 344 read *********************** Name C00629 3 stereo center(s) 8 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 3: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 4: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 5: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 6: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 7: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 8: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 345 read *********************** Name C00630 1 stereo center(s) 2 isomer(s) generated isomer 1: 53 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 53 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 300 ms *** RECORD no.: 346 read *********************** Name C00631 1 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 347 read *********************** Name C00632 1 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 348 read *********************** Name C00633 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 349 read *********************** Name C00636 1 isomer(s) generated isomer 1: 16 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 350 read *********************** Name C00637 1 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 351 read *********************** Name C00639 1 isomer(s) generated isomer 1: 25 atoms INFORMATION gen3d(): 9 conformation(s) cached INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 60 ms *** RECORD no.: 352 read *********************** Name C00642 1 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 353 read *********************** Name C00643 1 isomer(s) generated isomer 1: 16 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 354 read *********************** Name C00644 4 stereo center(s) 13 isomer(s) generated isomer 1: 16 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 16 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 3: 16 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 4: 16 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 5: 16 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 6: 16 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 7: 16 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 8: 16 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 9: 16 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 10: 16 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 11: 16 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 12: 16 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 13: 16 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 355 read *********************** Name C00645 1 stereo center(s) 2 isomer(s) generated isomer 1: 15 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 3 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated isomer 2: 15 atoms INFORMATION gen3d(): 11 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 3 pair(s) of crowded atoms INFORMATION gen3d(): 11 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 356 read *********************** Name C00647 1 isomer(s) generated isomer 1: 16 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 357 read *********************** Name C00650 1 stereo center(s) 2 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 11 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 358 read *********************** Name C00651 1 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 359 read *********************** Name C00652 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 5 conformation(s) cached INFORMATION gen3d(): 5 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 360 read *********************** Name C00655 1 isomer(s) generated isomer 1: 24 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 361 read *********************** Name C00659 1 stereo center(s) 2 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 362 read *********************** Name C00660 1 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 363 read *********************** Name C00661 1 stereo center(s) 2 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 364 read *********************** Name C00663 1 isomer(s) generated isomer 1: 16 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 365 read *********************** Name C00664 2 stereo center(s) 4 isomer(s) generated isomer 1: 34 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated isomer 2: 34 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated isomer 3: 34 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated isomer 4: 34 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated Elapsed time: 150 ms *** RECORD no.: 366 read *********************** Name C00665 1 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 9 conformation(s) cached INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 367 read *********************** Name C00666 1 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 368 read *********************** Name C00668 1 isomer(s) generated isomer 1: 16 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 369 read *********************** Name C00669 1 isomer(s) generated isomer 1: 16 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 370 read *********************** Name C00670 1 isomer(s) generated isomer 1: 16 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 371 read *********************** Name C00671 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 372 read *********************** Name C00672 1 stereo center(s) 2 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 373 read *********************** Name C00673 1 stereo center(s) 2 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 374 read *********************** Name C00679 1 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 375 read *********************** Name C00680 1 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 376 read *********************** Name C00682 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 377 read *********************** Name C00683 1 stereo center(s) 2 isomer(s) generated isomer 1: 55 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 55 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 310 ms *** RECORD no.: 378 read *********************** Name C00684 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 379 read *********************** Name C00687 1 isomer(s) generated isomer 1: 35 atoms INFORMATION gen3d(): 14 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 14 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 380 read *********************** Name C00688 1 stereo center(s) 2 isomer(s) generated isomer 1: 35 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated isomer 2: 35 atoms INFORMATION gen3d(): 13 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 13 conformation(s) generated Elapsed time: 160 ms *** RECORD no.: 381 read *********************** Name C00689 1 isomer(s) generated isomer 1: 27 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated Elapsed time: 60 ms *** RECORD no.: 382 read *********************** Name C00692 3 stereo center(s) 8 isomer(s) generated isomer 1: 58 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated isomer 2: 58 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated isomer 3: 58 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated isomer 4: 58 atoms INFORMATION gen3d(): 12 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 12 conformation(s) generated isomer 5: 58 atoms INFORMATION gen3d(): 9 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 9 conformation(s) generated isomer 6: 58 atoms INFORMATION gen3d(): 9 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 9 conformation(s) generated isomer 7: 58 atoms INFORMATION gen3d(): 9 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 9 conformation(s) generated isomer 8: 58 atoms INFORMATION gen3d(): 9 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 1630 ms *** RECORD no.: 383 read *********************** Name C00695 1 isomer(s) generated isomer 1: 34 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated Elapsed time: 230 ms *** RECORD no.: 384 read *********************** Name C00696 1 isomer(s) generated isomer 1: 25 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 80 ms *** RECORD no.: 385 read *********************** Name C00700 1 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 386 read *********************** Name C00705 1 isomer(s) generated isomer 1: 24 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 387 read *********************** Name C00711 1 stereo center(s) 2 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 388 read *********************** Name C00712 1 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 389 read *********************** Name C00715 1 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 390 read *********************** Name C00716 1 stereo center(s) 2 isomer(s) generated isomer 1: 7 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 7 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 391 read *********************** Name C00719 1 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 392 read *********************** Name C00725 1 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 5 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 393 read *********************** Name C00727 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 394 read *********************** Name C00728 1 isomer(s) generated isomer 1: 63 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 180 ms *** RECORD no.: 395 read *********************** Name C00732 1 isomer(s) generated isomer 1: 22 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 396 read *********************** Name C00736 1 stereo center(s) 2 isomer(s) generated isomer 1: 7 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 7 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 397 read *********************** Name C00739 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 398 read *********************** Name C00740 1 isomer(s) generated isomer 1: 7 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 399 read *********************** Name C00744 1 isomer(s) generated isomer 1: 63 atoms INFORMATION gen3d(): 13 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 13 conformation(s) generated Elapsed time: 1000 ms *** RECORD no.: 400 read *********************** Name C00745 1 stereo center(s) 2 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated isomer 2: 12 atoms INFORMATION gen3d(): 9 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 60 ms *** RECORD no.: 401 read *********************** Name C00746 1 isomer(s) generated isomer 1: 69 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 350 ms *** RECORD no.: 402 read *********************** Name C00747 1 isomer(s) generated isomer 1: 6 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 403 read *********************** Name C00755 1 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 404 read *********************** Name C00757 1 isomer(s) generated isomer 1: 25 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 405 read *********************** Name C00758 1 isomer(s) generated isomer 1: 15 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 406 read *********************** Name C00761 1 isomer(s) generated isomer 1: 24 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 407 read *********************** Name C00763 1 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 408 read *********************** Name C00766 1 stereo center(s) 2 isomer(s) generated isomer 1: 17 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated isomer 2: 17 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 409 read *********************** Name C00767 4 stereo center(s) 10 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 3: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 4: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 5: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 6: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 7: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 8: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 9: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 10: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 410 read *********************** Name C00768 1 stereo center(s) 2 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 11 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 411 read *********************** Name C00770 4 stereo center(s) 13 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 3: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 4: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 5: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 6: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 7: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 8: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 9: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 10: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 11: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 12: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 13: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 412 read *********************** Name C00772 2 stereo center(s) 4 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 14 conformation(s) cached INFORMATION gen3d(): 14 conformation(s) generated isomer 2: 10 atoms INFORMATION gen3d(): 13 conformation(s) cached INFORMATION gen3d(): 13 conformation(s) generated isomer 3: 10 atoms INFORMATION gen3d(): 13 conformation(s) cached INFORMATION gen3d(): 13 conformation(s) generated isomer 4: 10 atoms INFORMATION gen3d(): 14 conformation(s) cached INFORMATION gen3d(): 14 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 413 read *********************** Name C00773 4 stereo center(s) 13 isomer(s) generated isomer 1: 48 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 48 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 3: 48 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 4: 48 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 5: 48 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 6: 48 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 7: 48 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 8: 48 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 9: 48 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 10: 48 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 11: 48 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 12: 48 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 13: 48 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 790 ms *** RECORD no.: 414 read *********************** Name C00774 1 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 415 read *********************** Name C00777 1 isomer(s) generated isomer 1: 22 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 416 read *********************** Name C00779 1 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 417 read *********************** Name C00780 1 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 418 read *********************** Name C00785 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 419 read *********************** Name C00786 1 isomer(s) generated isomer 1: 21 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 420 read *********************** Name C00788 1 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 421 read *********************** Name C00789 3 stereo center(s) 8 isomer(s) generated isomer 1: 34 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 34 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 3: 34 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 4: 34 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 5: 34 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 6: 34 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 7: 34 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 8: 34 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 410 ms *** RECORD no.: 422 read *********************** Name C00790 1 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 423 read *********************** Name C00791 1 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 424 read *********************** Name C00792 1 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 425 read *********************** Name C00793 1 isomer(s) generated isomer 1: 7 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 426 read *********************** Name C00796 1 isomer(s) generated isomer 1: 25 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 427 read *********************** Name C00798 1 stereo center(s) 2 isomer(s) generated isomer 1: 50 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 50 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 280 ms *** RECORD no.: 428 read *********************** Name C00799 1 isomer(s) generated isomer 1: 17 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 429 read *********************** Name C00800 4 stereo center(s) 13 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 3: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 4: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 5: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 6: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 7: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 8: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 9: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 10: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 11: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 12: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 13: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 430 read *********************** Name C00802 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 431 read *********************** Name C00803 1 isomer(s) generated isomer 1: 7 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 432 read *********************** Name C00804 1 isomer(s) generated isomer 1: 5 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 433 read *********************** Name C00805 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 434 read *********************** Name C00806 1 stereo center(s) 2 isomer(s) generated isomer 1: 15 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 15 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 435 read *********************** Name C00811 1 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 436 read *********************** Name C00813 1 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 437 read *********************** Name C00814 1 isomer(s) generated isomer 1: 21 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 438 read *********************** Name C00815 1 stereo center(s) 2 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 439 read *********************** Name C00817 1 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no