corina 3.20 0003 11.05.2005 joha 19. 12. 2006 11:52 meatpuppet. Input file type MDL SDFile Output file type MDL SDFile Writing compact SDFiles Options: Writing added hydrogen atoms Generating multiple ring conformations Generating a maximum of 10 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 b8.4_parts_connect_2_ln_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 C00621_1p0 1 isomer(s) generated isomer 1: 53 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 2 read *********************** Name C06111_1p0 1 isomer(s) generated isomer 1: 51 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 3 read *********************** Name C05308_1p0 1 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 4 read *********************** Name C11437_1p0 1 isomer(s) generated isomer 1: 24 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 5 read *********************** Name C04630_4p0 1 isomer(s) generated isomer 1: 66 atoms INFORMATION gen3d(): 10 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 160 ms *** RECORD no.: 6 read *********************** Name C07498_3p0 1 isomer(s) generated isomer 1: 40 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 7 read *********************** Name C07498_4p0 1 isomer(s) generated isomer 1: 40 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 8 read *********************** Name C07498_5p0 1 isomer(s) generated isomer 1: 40 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 9 read *********************** Name C04454_4p0 1 isomer(s) generated isomer 1: 40 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 10 read *********************** Name C00672_1p0 1 isomer(s) generated isomer 1: 24 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 11 read *********************** Name C00074_1p0 1 isomer(s) generated isomer 1: 15 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 12 read *********************** Name C04646_1p0 1 isomer(s) generated isomer 1: 36 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 13 read *********************** Name C04437_1p0 1 isomer(s) generated isomer 1: 37 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 14 read *********************** Name C03604_1p0 1 isomer(s) generated isomer 1: 21 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 15 read *********************** Name C02330_3p0 1 isomer(s) generated isomer 1: 59 atoms INFORMATION gen3d(): 10 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 16 read *********************** Name C02330_4p0 1 isomer(s) generated isomer 1: 59 atoms INFORMATION gen3d(): 10 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 130 ms *** RECORD no.: 17 read *********************** Name C05924_4p0 1 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 18 read *********************** Name C00498_2p0 1 isomer(s) generated isomer 1: 63 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 19 read *********************** Name C01095_1p0 1 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 20 read *********************** Name C00231_1p0 1 isomer(s) generated isomer 1: 25 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 21 read *********************** Name C00498_3p0 1 isomer(s) generated isomer 1: 63 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 22 read *********************** Name C02569_1p0 1 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 23 read *********************** Name C00052_3p0 1 isomer(s) generated isomer 1: 60 atoms INFORMATION gen3d(): 10 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(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 24 read *********************** Name C00052_4p0 1 isomer(s) generated isomer 1: 60 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 3 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 25 read *********************** Name C00044_3p0 1 isomer(s) generated isomer 1: 46 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 26 read *********************** Name C06206_2p0 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.: 27 read *********************** Name C04352_3p0 1 isomer(s) generated isomer 1: 48 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 28 read *********************** Name C05674_3p0 1 isomer(s) generated isomer 1: 57 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 60 ms *** RECORD no.: 29 read *********************** Name C05983_3p0 1 isomer(s) generated isomer 1: 46 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 30 read *********************** Name C05983_4p0 1 isomer(s) generated isomer 1: 46 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 31 read *********************** Name C05674_4p0 1 isomer(s) generated isomer 1: 57 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 32 read *********************** Name C03779_1p0 1 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 33 read *********************** Name C11925_3p0 1 isomer(s) generated isomer 1: 62 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 34 read *********************** Name C00190_3p0 1 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 10 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 35 read *********************** Name C00190_4p0 1 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 10 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 36 read *********************** Name C01112_1p0 1 isomer(s) generated isomer 1: 25 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 37 read *********************** Name C04071_3p0 1 isomer(s) generated isomer 1: 25 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 38 read *********************** Name C04751_2p0 1 isomer(s) generated isomer 1: 36 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 39 read *********************** Name C05765_2p0 1 isomer(s) generated isomer 1: 24 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 40 read *********************** Name C11521_3p0 1 isomer(s) generated isomer 1: 63 atoms INFORMATION gen3d(): 10 conformation(s) cached 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(): 3 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 41 read *********************** Name C00670_1p0 1 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 42 read *********************** Name C11521_4p0 1 isomer(s) generated isomer 1: 63 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 3 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 3 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 130 ms *** RECORD no.: 43 read *********************** Name C00068_2p0 1 isomer(s) generated isomer 1: 44 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 44 read *********************** Name C00976_3p0 1 isomer(s) generated isomer 1: 63 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 45 read *********************** Name C00665_1p0 1 isomer(s) generated isomer 1: 32 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 Elapsed time: 30 ms *** RECORD no.: 46 read *********************** Name C13825_3p0 1 isomer(s) generated isomer 1: 55 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 70 ms *** RECORD no.: 47 read *********************** Name C00670_2p0 1 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 48 read *********************** Name C03494_1p0 1 isomer(s) generated isomer 1: 23 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 49 read *********************** Name C06606_1p0 1 isomer(s) generated isomer 1: 34 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 50 read *********************** Name C11928_3p0 1 isomer(s) generated isomer 1: 58 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 51 read *********************** Name C11928_4p0 1 isomer(s) generated isomer 1: 58 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 130 ms *** RECORD no.: 52 read *********************** Name C03287_2p0 1 isomer(s) generated isomer 1: 24 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 53 read *********************** Name C03366_1p0 1 isomer(s) generated isomer 1: 30 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 54 read *********************** Name C06619_3p0 1 isomer(s) generated isomer 1: 61 atoms INFORMATION gen3d(): 8 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 55 read *********************** Name C06619_4p0 1 isomer(s) generated isomer 1: 61 atoms INFORMATION gen3d(): 8 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 56 read *********************** Name C04573_4p0 1 isomer(s) generated isomer 1: 65 atoms INFORMATION gen3d(): 10 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 57 read *********************** Name C01806_3p0 1 isomer(s) generated isomer 1: 48 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 58 read *********************** Name C01806_4p0 1 isomer(s) generated isomer 1: 48 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 59 read *********************** Name C04573_5p0 1 isomer(s) generated isomer 1: 65 atoms INFORMATION gen3d(): 10 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 160 ms *** RECORD no.: 60 read *********************** Name C05381_3p0 1 isomer(s) generated isomer 1: 58 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 61 read *********************** Name C04302_1p0 1 isomer(s) generated isomer 1: 39 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 62 read *********************** Name C00688_3p0 1 isomer(s) generated isomer 1: 59 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: 130 ms *** RECORD no.: 63 read *********************** Name C02305_3p0 1 isomer(s) generated isomer 1: 23 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 64 read *********************** Name C11461_3p0 1 isomer(s) generated isomer 1: 65 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 170 ms *** RECORD no.: 65 read *********************** Name C11461_4p0 1 isomer(s) generated isomer 1: 65 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 160 ms *** RECORD no.: 66 read *********************** Name C01099_1p0 1 isomer(s) generated isomer 1: 28 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 67 read *********************** Name C12318_3p0 1 isomer(s) generated isomer 1: 59 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 130 ms *** RECORD no.: 68 read *********************** Name C04269_3p0 1 isomer(s) generated isomer 1: 59 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: 130 ms *** RECORD no.: 69 read *********************** Name C04269_4p0 1 isomer(s) generated isomer 1: 59 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: 120 ms *** RECORD no.: 70 read *********************** Name C01177_1p0 1 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 71 read *********************** Name C00018_1p0 1 isomer(s) generated isomer 1: 26 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 72 read *********************** Name C07840_3p0 1 isomer(s) generated isomer 1: 40 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 73 read *********************** Name C00103_1p0 1 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 74 read *********************** Name C01159_1p0 1 isomer(s) generated isomer 1: 21 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 75 read *********************** Name C00235_1p0 1 isomer(s) generated isomer 1: 25 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 76 read *********************** Name C14177_3p0 1 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 77 read *********************** Name C14177_4p0 1 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 78 read *********************** Name C11921_3p0 1 isomer(s) generated isomer 1: 63 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 79 read *********************** Name C11921_4p0 1 isomer(s) generated isomer 1: 63 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 80 read *********************** Name C01121_5p0 1 isomer(s) generated isomer 1: 41 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 81 read *********************** Name C11908_3p0 1 isomer(s) generated isomer 1: 59 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: 110 ms *** RECORD no.: 82 read *********************** Name C11908_4p0 1 isomer(s) generated isomer 1: 59 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: 110 ms *** RECORD no.: 83 read *********************** Name C11536_1p0 1 isomer(s) generated isomer 1: 21 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 84 read *********************** Name C03177_1p0 1 isomer(s) generated isomer 1: 31 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 85 read *********************** Name C03606_1p0 1 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 86 read *********************** Name D01907_2p0 1 isomer(s) generated isomer 1: 37 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 87 read *********************** Name C06240_4p0 1 isomer(s) generated isomer 1: 65 atoms INFORMATION gen3d(): 10 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 160 ms *** RECORD no.: 88 read *********************** Name C00035_3p0 1 isomer(s) generated isomer 1: 42 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 89 read *********************** Name C02591_1p0 1 isomer(s) generated isomer 1: 50 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 80 ms *** RECORD no.: 90 read *********************** Name C00096_3p0 1 isomer(s) generated isomer 1: 64 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 91 read *********************** Name C12322_3p0 1 isomer(s) generated isomer 1: 64 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 160 ms *** RECORD no.: 92 read *********************** Name C03799_1p0 1 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 93 read *********************** Name C00206_2p0 1 isomer(s) generated isomer 1: 40 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 94 read *********************** Name C04111_2p0 1 isomer(s) generated isomer 1: 26 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 95 read *********************** Name C01367_2p0 1 isomer(s) generated isomer 1: 37 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 96 read *********************** Name C06240_5p0 1 isomer(s) generated isomer 1: 65 atoms INFORMATION gen3d(): 10 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 97 read *********************** Name C01268_4p0 1 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 98 read *********************** Name C11472_1p0 1 isomer(s) generated isomer 1: 36 atoms INFORMATION gen3d(): 9 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 99 read *********************** Name C12322_4p0 1 isomer(s) generated isomer 1: 64 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 150 ms *** RECORD no.: 100 read *********************** Name C00015_3p0 1 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 101 read *********************** Name C00570_3p0 1 isomer(s) generated isomer 1: 48 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 102 read *********************** Name C04359_1p0 1 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 103 read *********************** Name C00570_4p0 1 isomer(s) generated isomer 1: 48 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 104 read *********************** Name C03356_1p0 1 isomer(s) generated isomer 1: 22 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 105 read *********************** Name C01294_3p0 1 isomer(s) generated isomer 1: 35 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 106 read *********************** Name C00935_3p0 1 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 10 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 107 read *********************** Name C00935_4p0 1 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 10 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 108 read *********************** Name C01346_3p0 1 isomer(s) generated isomer 1: 37 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 109 read *********************** Name C05344_3p0 1 isomer(s) generated isomer 1: 61 atoms INFORMATION gen3d(): 10 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 110 read *********************** Name C05344_4p0 1 isomer(s) generated isomer 1: 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: 70 ms *** RECORD no.: 111 read *********************** Name C01182_1p0 1 isomer(s) generated isomer 1: 28 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 112 read *********************** Name C07335_1p0 1 isomer(s) generated isomer 1: 21 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 113 read *********************** Name C03433_1p0 1 isomer(s) generated isomer 1: 31 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 114 read *********************** Name C11728_2p0 1 isomer(s) generated isomer 1: 65 atoms INFORMATION gen3d(): 9 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 3 pair(s) of crowded atoms INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 115 read *********************** Name C03031_3p0 1 isomer(s) generated isomer 1: 34 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 116 read *********************** Name C11933_3p0 1 isomer(s) generated isomer 1: 68 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 Elapsed time: 160 ms *** RECORD no.: 117 read *********************** Name C04062_1p0 1 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 118 read *********************** Name C05945_3p0 1 isomer(s) generated isomer 1: 31 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 119 read *********************** Name C00620_1p0 1 isomer(s) generated isomer 1: 25 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 120 read *********************** Name C03319_3p0 1 isomer(s) generated isomer 1: 61 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 150 ms *** RECORD no.: 121 read *********************** Name C12210_3p0 1 isomer(s) generated isomer 1: 58 atoms INFORMATION gen3d(): 10 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 122 read *********************** Name C12210_4p0 1 isomer(s) generated isomer 1: 58 atoms INFORMATION gen3d(): 10 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(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 123 read *********************** Name C03319_4p0 1 isomer(s) generated isomer 1: 61 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 140 ms *** RECORD no.: 124 read *********************** Name C05136_3p0 1 isomer(s) generated isomer 1: 62 atoms INFORMATION gen3d(): 10 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 125 read *********************** Name C06500_3p0 1 isomer(s) generated isomer 1: 48 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 126 read *********************** Name C04346_3p0 1 isomer(s) generated isomer 1: 62 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 140 ms *** RECORD no.: 127 read *********************** Name C04346_4p0 1 isomer(s) generated isomer 1: 62 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 150 ms *** RECORD no.: 128 read *********************** Name C11931_3p0 1 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 129 read *********************** Name C11931_4p0 1 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 130 read *********************** Name C04823_3p0 1 isomer(s) generated isomer 1: 49 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 131 read *********************** Name C01233_1p0 1 isomer(s) generated isomer 1: 28 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 132 read *********************** Name C12446_3p0 1 isomer(s) generated isomer 1: 60 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 140 ms *** RECORD no.: 133 read *********************** Name C12446_4p0 1 isomer(s) generated isomer 1: 60 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 134 read *********************** Name C03694_3p0 1 isomer(s) generated isomer 1: 45 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 135 read *********************** Name C00705_3p0 1 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 136 read *********************** Name C07024_2p0 1 isomer(s) generated isomer 1: 43 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 137 read *********************** Name C03838_2p0 1 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 138 read *********************** Name C00055_3p0 1 isomer(s) generated isomer 1: 35 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 139 read *********************** Name C01048_1p0 1 isomer(s) generated isomer 1: 34 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 140 read *********************** Name C04630_5p0 1 isomer(s) generated isomer 1: 66 atoms INFORMATION gen3d(): 10 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 141 read *********************** Name C06311_1p0 1 isomer(s) generated isomer 1: 31 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 142 read *********************** Name C04501_2p0 1 isomer(s) generated isomer 1: 35 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 3 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 143 read *********************** Name C07025_2p0 1 isomer(s) generated isomer 1: 35 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 144 read *********************** Name C12022_1p0 1 isomer(s) generated isomer 1: 31 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 145 read *********************** Name C01345_2p0 1 isomer(s) generated isomer 1: 43 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 146 read *********************** Name C03599_3p0 1 isomer(s) generated isomer 1: 59 atoms INFORMATION gen3d(): 10 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 147 read *********************** Name C03599_4p0 1 isomer(s) generated isomer 1: 59 atoms INFORMATION gen3d(): 10 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 148 read *********************** Name C05822_3p0 1 isomer(s) generated isomer 1: 35 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 149 read *********************** Name C03799_2p0 1 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 80 ms *** RECORD no.: 150 read *********************** Name C14817_1p0 1 isomer(s) generated isomer 1: 57 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 151 read *********************** Name C00197_1p0 1 isomer(s) generated isomer 1: 18 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 152 read *********************** Name C01233_2p0 1 isomer(s) generated isomer 1: 28 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 153 read *********************** Name C11436_3p0 1 isomer(s) generated isomer 1: 61 atoms INFORMATION gen3d(): 8 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 154 read *********************** Name C04257_2p0 1 isomer(s) generated isomer 1: 35 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 3 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 155 read *********************** Name C04380_2p0 1 isomer(s) generated isomer 1: 47 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 156 read *********************** Name C00093_1p0 1 isomer(s) generated isomer 1: 19 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 157 read *********************** Name C05816_2p0 1 isomer(s) generated isomer 1: 57 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 158 read *********************** Name C05816_3p0 1 isomer(s) generated isomer 1: 57 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 159 read *********************** Name C04556_2p0 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.: 160 read *********************** Name C06193_3p0 1 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 161 read *********************** Name C04380_3p0 1 isomer(s) generated isomer 1: 47 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 162 read *********************** Name C00118_1p0 1 isomer(s) generated isomer 1: 17 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 163 read *********************** Name C13744_3p0 1 isomer(s) generated isomer 1: 69 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 70 ms *** RECORD no.: 164 read *********************** Name C02739_2p0 1 isomer(s) generated isomer 1: 65 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 165 read *********************** Name C06148_4p0 1 isomer(s) generated isomer 1: 47 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 166 read *********************** Name C11916_3p0 1 isomer(s) generated isomer 1: 63 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 160 ms *** RECORD no.: 167 read *********************** Name C11916_4p0 1 isomer(s) generated isomer 1: 63 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 130 ms *** RECORD no.: 168 read *********************** Name C01097_1p0 1 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 8 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 169 read *********************** Name C07028_4p0 1 isomer(s) generated isomer 1: 64 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 60 ms *** RECORD no.: 170 read *********************** Name C04399_2p0 1 isomer(s) generated isomer 1: 21 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 171 read *********************** Name C00020_2p0 1 isomer(s) generated isomer 1: 37 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 172 read *********************** Name C03232_1p0 1 isomer(s) generated isomer 1: 16 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 173 read *********************** Name C01788_3p0 1 isomer(s) generated isomer 1: 59 atoms INFORMATION gen3d(): 10 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 174 read *********************** Name C00636_1p0 1 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 175 read *********************** Name C01788_4p0 1 isomer(s) generated isomer 1: 59 atoms INFORMATION gen3d(): 10 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 176 read *********************** Name C02467_3p0 1 isomer(s) generated isomer 1: 61 atoms INFORMATION gen3d(): 9 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 INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 177 read *********************** Name C01204_1p0 1 isomer(s) generated isomer 1: 44 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 178 read *********************** Name C03568_2p0 1 isomer(s) generated isomer 1: 45 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 179 read *********************** Name C02467_4p0 1 isomer(s) generated isomer 1: 61 atoms INFORMATION gen3d(): 9 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 INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 180 read *********************** Name C04767_5p0 1 isomer(s) generated isomer 1: 61 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 181 read *********************** Name C02979_1p0 1 isomer(s) generated isomer 1: 19 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 182 read *********************** Name C01094_1p0 1 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 8 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 183 read *********************** Name C00563_2p0 1 isomer(s) generated isomer 1: 72 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 160 ms *** RECORD no.: 184 read *********************** Name C00029_3p0 1 isomer(s) generated isomer 1: 60 atoms INFORMATION gen3d(): 10 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(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 185 read *********************** Name C13482_1p0 1 isomer(s) generated isomer 1: 22 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 186 read *********************** Name C01220_1p0 1 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 187 read *********************** Name C00002_2p0 1 isomer(s) generated isomer 1: 45 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 188 read *********************** Name C01172_1p0 1 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 189 read *********************** Name C00081_2p0 1 isomer(s) generated isomer 1: 44 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 190 read *********************** Name C00029_4p0 1 isomer(s) generated isomer 1: 60 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 3 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 191 read *********************** Name C00660_1p0 1 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 192 read *********************** Name C07494_1p0 1 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 193 read *********************** Name C07494_2p0 1 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 194 read *********************** Name C07494_3p0 1 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 195 read *********************** Name C07494_4p0 1 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 196 read *********************** Name C06618_3p0 1 isomer(s) generated isomer 1: 58 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: 100 ms *** RECORD no.: 197 read *********************** Name C06618_4p0 1 isomer(s) generated isomer 1: 58 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: 140 ms *** RECORD no.: 198 read *********************** Name C12319_3p0 1 isomer(s) generated isomer 1: 62 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 199 read *********************** Name C04503_3p0 1 isomer(s) generated isomer 1: 28 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 200 read *********************** Name C00112_3p0 1 isomer(s) generated isomer 1: 39 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 201 read *********************** Name C01009_3p0 1 isomer(s) generated isomer 1: 59 atoms INFORMATION gen3d(): 9 conformation(s) cached 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 INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 202 read *********************** Name C01009_4p0 1 isomer(s) generated isomer 1: 59 atoms INFORMATION gen3d(): 9 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 INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 80 ms *** RECORD no.: 203 read *********************** Name C12443_3p0 1 isomer(s) generated isomer 1: 61 atoms INFORMATION gen3d(): 8 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 204 read *********************** Name C12443_4p0 1 isomer(s) generated isomer 1: 61 atoms INFORMATION gen3d(): 8 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 205 read *********************** Name C03082_2p0 1 isomer(s) generated isomer 1: 21 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 206 read *********************** Name C14830_3p0 1 isomer(s) generated isomer 1: 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: 70 ms *** RECORD no.: 207 read *********************** Name C14830_4p0 1 isomer(s) generated isomer 1: 61 atoms INFORMATION gen3d(): 10 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 208 read *********************** Name C01581_3p0 1 isomer(s) generated isomer 1: 64 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 130 ms *** RECORD no.: 209 read *********************** Name C01002_1p0 1 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 210 read *********************** Name C01228_3p0 1 isomer(s) generated isomer 1: 49 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 211 read *********************** Name D00975_1p0 1 isomer(s) generated isomer 1: 62 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 430 ms *** RECORD no.: 212 read *********************** Name C06620_3p0 1 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 130 ms *** RECORD no.: 213 read *********************** Name C06620_4p0 1 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 130 ms *** RECORD no.: 214 read *********************** Name C11038_3p0 1 isomer(s) generated isomer 1: 42 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 215 read *********************** Name C07971_1p0 1 isomer(s) generated isomer 1: 22 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 216 read *********************** Name C07971_2p0 1 isomer(s) generated isomer 1: 22 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 217 read *********************** Name C00617_3p0 1 isomer(s) generated isomer 1: 59 atoms INFORMATION gen3d(): 10 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 218 read *********************** Name C00458_3p0 1 isomer(s) generated isomer 1: 42 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 219 read *********************** Name D01622_3p0 1 isomer(s) generated isomer 1: 52 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 220 read *********************** Name C03113_1p0 1 isomer(s) generated isomer 1: 27 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 221 read *********************** Name C05254_5p0 1 isomer(s) generated isomer 1: 46 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 222 read *********************** Name C00061_3p0 1 isomer(s) generated isomer 1: 52 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 223 read *********************** Name C01100_1p0 1 isomer(s) generated isomer 1: 26 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 224 read *********************** Name C01246_1p0 1 isomer(s) generated isomer 1: 71 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 140 ms *** RECORD no.: 225 read *********************** Name C00129_1p0 1 isomer(s) generated isomer 1: 25 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 226 read *********************** Name C06632_3p0 1 isomer(s) generated isomer 1: 67 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 Elapsed time: 130 ms *** RECORD no.: 227 read *********************** Name C06632_4p0 1 isomer(s) generated isomer 1: 67 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 228 read *********************** Name C13825_4p0 1 isomer(s) generated isomer 1: 55 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 229 read *********************** Name C01368_3p0 1 isomer(s) generated isomer 1: 34 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 230 read *********************** Name C11435_3p0 1 isomer(s) generated isomer 1: 58 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 231 read *********************** Name C11435_4p0 1 isomer(s) generated isomer 1: 58 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 80 ms *** RECORD no.: 232 read *********************** Name C03998_3p0 1 isomer(s) generated isomer 1: 42 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 233 read *********************** Name C00341_1p0 1 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 234 read *********************** Name C00644_1p0 1 isomer(s) generated isomer 1: 31 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 235 read *********************** Name C00224_2p0 1 isomer(s) generated isomer 1: 42 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 60 ms *** RECORD no.: 236 read *********************** Name C06893_1p0 1 isomer(s) generated isomer 1: 27 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 237 read *********************** Name C00588_1p0 1 isomer(s) generated isomer 1: 26 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 238 read *********************** Name C03872_1p0 1 isomer(s) generated isomer 1: 28 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 239 read *********************** Name C03028_2p0 1 isomer(s) generated isomer 1: 48 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 240 read *********************** Name C12213_1p0 1 isomer(s) generated isomer 1: 30 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 3 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 241 read *********************** Name C01170_4p0 1 isomer(s) generated isomer 1: 66 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 3 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 3 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 242 read *********************** Name C00224_3p0 1 isomer(s) generated isomer 1: 42 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 243 read *********************** Name C04666_1p0 1 isomer(s) generated isomer 1: 26 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 244 read *********************** Name C00357_2p0 1 isomer(s) generated isomer 1: 35 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 3 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 245 read *********************** Name C02855_3p0 1 isomer(s) generated isomer 1: 36 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 246 read *********************** Name C03598_3p0 1 isomer(s) generated isomer 1: 59 atoms INFORMATION gen3d(): 10 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 247 read *********************** Name C00307_3p0 1 isomer(s) generated isomer 1: 58 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 70 ms *** RECORD no.: 248 read *********************** Name C04423_3p0 1 isomer(s) generated isomer 1: 71 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 249 read *********************** Name C04423_4p0 1 isomer(s) generated isomer 1: 71 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 130 ms *** RECORD no.: 250 read *********************** Name C00307_4p0 1 isomer(s) generated isomer 1: 58 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 70 ms *** RECORD no.: 251 read *********************** Name C14446_1p0 1 isomer(s) generated isomer 1: 67 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 252 read *********************** Name C00131_2p0 1 isomer(s) generated isomer 1: 44 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 253 read *********************** Name C06621_3p0 1 isomer(s) generated isomer 1: 58 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 130 ms *** RECORD no.: 254 read *********************** Name C05560_3p0 1 isomer(s) generated isomer 1: 57 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 255 read *********************** Name C06621_4p0 1 isomer(s) generated isomer 1: 58 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 256 read *********************** Name C04133_3p0 1 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 257 read *********************** Name C03733_3p0 1 isomer(s) generated isomer 1: 60 atoms INFORMATION gen3d(): 8 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 INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 258 read *********************** Name C00842_3p0 1 isomer(s) generated isomer 1: 62 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 259 read *********************** Name C00842_4p0 1 isomer(s) generated isomer 1: 62 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 260 read *********************** Name C03733_4p0 1 isomer(s) generated isomer 1: 60 atoms INFORMATION gen3d(): 8 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 INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 261 read *********************** Name C13745_2p0 1 isomer(s) generated isomer 1: 46 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 262 read *********************** Name C00301_2p0 1 isomer(s) generated isomer 1: 60 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 Elapsed time: 70 ms *** RECORD no.: 263 read *********************** Name C11451_3p0 1 isomer(s) generated isomer 1: 62 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 264 read *********************** Name C05560_4p0 1 isomer(s) generated isomer 1: 57 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 70 ms *** RECORD no.: 265 read *********************** Name C04677_3p0 1 isomer(s) generated isomer 1: 37 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 266 read *********************** Name C04175_1p0 1 isomer(s) generated isomer 1: 27 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 267 read *********************** Name C12321_3p0 1 isomer(s) generated isomer 1: 64 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 160 ms *** RECORD no.: 268 read *********************** Name C12987_3p0 1 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 269 read *********************** Name C00345_1p0 1 isomer(s) generated isomer 1: 30 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 270 read *********************** Name C12321_4p0 1 isomer(s) generated isomer 1: 64 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 160 ms *** RECORD no.: 271 read *********************** Name C10517_1p0 1 isomer(s) generated isomer 1: 40 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 272 read *********************** Name C00700_3p0 1 isomer(s) generated isomer 1: 45 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 273 read *********************** Name C00663_1p0 1 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 274 read *********************** Name C04309_1p0 1 isomer(s) generated isomer 1: 19 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 275 read *********************** Name C02741_2p0 1 isomer(s) generated isomer 1: 57 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 70 ms *** RECORD no.: 276 read *********************** Name C03630_2p0 1 isomer(s) generated isomer 1: 68 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 277 read *********************** Name C04071_4p0 1 isomer(s) generated isomer 1: 25 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 278 read *********************** Name C05922_4p0 1 isomer(s) generated isomer 1: 49 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 279 read *********************** Name C04684_2p0 1 isomer(s) generated isomer 1: 42 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 280 read *********************** Name C04684_3p0 1 isomer(s) generated isomer 1: 42 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 281 read *********************** Name C01191_1p0 1 isomer(s) generated isomer 1: 67 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 150 ms *** RECORD no.: 282 read *********************** Name C01191_2p0 1 isomer(s) generated isomer 1: 67 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 160 ms *** RECORD no.: 283 read *********************** Name C04896_5p0 1 isomer(s) generated isomer 1: 60 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 60 ms *** RECORD no.: 284 read *********************** Name C03492_2p0 1 isomer(s) generated isomer 1: 37 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 285 read *********************** Name C01961_3p0 1 isomer(s) generated isomer 1: 39 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 286 read *********************** Name C01961_4p0 1 isomer(s) generated isomer 1: 39 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 287 read *********************** Name C13743_2p0 1 isomer(s) generated isomer 1: 42 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 288 read *********************** Name C12147_1p0 1 isomer(s) generated isomer 1: 22 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 289 read *********************** Name C01726_3p0 1 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 290 read *********************** Name D01853_1p0 1 isomer(s) generated isomer 1: 72 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 291 read *********************** Name C01882_2p0 1 isomer(s) generated isomer 1: 59 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 292 read *********************** Name C01131_1p0 1 isomer(s) generated isomer 1: 28 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 293 read *********************** Name C03783_1p0 1 isomer(s) generated isomer 1: 30 atoms INFORMATION gen3d(): 9 conformation(s) cached INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 294 read *********************** Name C03693_1p0 1 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 295 read *********************** Name C04477_1p0 1 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 296 read *********************** Name C00360_2p0 1 isomer(s) generated isomer 1: 36 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 297 read *********************** Name C08145_1p0 1 isomer(s) generated isomer 1: 48 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 298 read *********************** Name C04579_1p0 1 isomer(s) generated isomer 1: 41 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 299 read *********************** Name C06055_1p0 1 isomer(s) generated isomer 1: 23 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 300 read *********************** Name C04789_2p0 1 isomer(s) generated isomer 1: 57 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 5 pair(s) of crowded atoms WARNING rrefine(): 4 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 70 ms *** RECORD no.: 301 read *********************** Name C04789_3p0 1 isomer(s) generated isomer 1: 57 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 5 pair(s) of crowded atoms WARNING rrefine(): 3 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 302 read *********************** Name C14430_1p0 1 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 303 read *********************** Name C14436_1p0 1 isomer(s) generated isomer 1: 36 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 304 read *********************** Name C14436_2p0 1 isomer(s) generated isomer 1: 36 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 305 read *********************** Name C14436_3p0 1 isomer(s) generated isomer 1: 36 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 306 read *********************** Name C14430_2p0 1 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 307 read *********************** Name C14430_3p0 1 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 308 read *********************** Name C05686_2p0 1 isomer(s) generated isomer 1: 42 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 309 read *********************** Name C05686_3p0 1 isomer(s) generated isomer 1: 42 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 310 read *********************** Name C00617_4p0 1 isomer(s) generated isomer 1: 59 atoms INFORMATION gen3d(): 10 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 311 read *********************** Name C01272_1p0 1 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 312 read *********************** Name C06501_1p0 1 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 313 read *********************** Name C13952_4p0 1 isomer(s) generated isomer 1: 65 atoms INFORMATION gen3d(): 10 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 150 ms *** RECORD no.: 314 read *********************** Name C03394_1p0 1 isomer(s) generated isomer 1: 21 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 315 read *********************** Name C00448_1p0 1 isomer(s) generated isomer 1: 51 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 316 read *********************** Name C11451_4p0 1 isomer(s) generated isomer 1: 62 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 317 read *********************** Name C03293_2p0 1 isomer(s) generated isomer 1: 52 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 60 ms *** RECORD no.: 318 read *********************** Name C03483_2p0 1 isomer(s) generated isomer 1: 49 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 319 read *********************** Name C03109_1p0 1 isomer(s) generated isomer 1: 21 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 320 read *********************** Name C00688_4p0 1 isomer(s) generated isomer 1: 59 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: 110 ms *** RECORD no.: 321 read *********************** Name C00325_3p0 1 isomer(s) generated isomer 1: 63 atoms INFORMATION gen3d(): 10 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 140 ms *** RECORD no.: 322 read *********************** Name C00325_4p0 1 isomer(s) generated isomer 1: 63 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 80 ms *** RECORD no.: 323 read *********************** Name C03709_2p0 1 isomer(s) generated isomer 1: 58 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 80 ms *** RECORD no.: 324 read *********************** Name C07646_1p0 1 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 325 read *********************** Name C07646_2p0 1 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 326 read *********************** Name C07646_3p0 1 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 327 read *********************** Name C07646_4p0 1 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 328 read *********************** Name C03709_3p0 1 isomer(s) generated isomer 1: 58 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 70 ms *** RECORD no.: 329 read *********************** Name C00008_2p0 1 isomer(s) generated isomer 1: 41 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 330 read *********************** Name C00446_1p0 1 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 331 read *********************** Name C02995_1p0 1 isomer(s) generated isomer 1: 50 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 24 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 WARNING rrefine(): 4 pair(s) of crowded atoms WARNING rrefine(): 4 pair(s) of crowded atoms INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 70 ms *** RECORD no.: 332 read *********************** Name C04691_1p0 1 isomer(s) generated isomer 1: 31 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 333 read *********************** Name C00623_1p0 1 isomer(s) generated isomer 1: 19 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 334 read *********************** Name C04639_3p0 1 isomer(s) generated isomer 1: 36 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 335 read *********************** Name C11039_3p0 1 isomer(s) generated isomer 1: 46 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 336 read *********************** Name C14439_1p0 1 isomer(s) generated isomer 1: 46 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 337 read *********************** Name C00130_2p0 1 isomer(s) generated isomer 1: 36 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 338 read *********************** Name C07646_5p0 1 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 339 read *********************** Name C07646_6p0 1 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 340 read *********************** Name C01210_1p0 1 isomer(s) generated isomer 1: 19 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 341 read *********************** Name C00631_1p0 1 isomer(s) generated isomer 1: 18 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 342 read *********************** Name C06617_3p0 1 isomer(s) generated isomer 1: 59 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: 110 ms *** RECORD no.: 343 read *********************** Name C00789_3p0 1 isomer(s) generated isomer 1: 59 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 60 ms *** RECORD no.: 344 read *********************** Name C00789_4p0 1 isomer(s) generated isomer 1: 59 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 80 ms *** RECORD no.: 345 read *********************** Name C06617_4p0 1 isomer(s) generated isomer 1: 59 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: 110 ms *** RECORD no.: 346 read *********************** Name C00365_3p0 1 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 347 read *********************** Name C06017_3p0 1 isomer(s) generated isomer 1: 61 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 348 read *********************** Name C06017_4p0 1 isomer(s) generated isomer 1: 61 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 349 read *********************** Name C11920_3p0 1 isomer(s) generated isomer 1: 60 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 140 ms *** RECORD no.: 350 read *********************** Name C11920_4p0 1 isomer(s) generated isomer 1: 60 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 130 ms *** RECORD no.: 351 read *********************** Name C12106_1p0 1 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 352 read *********************** Name C12021_2p0 1 isomer(s) generated isomer 1: 18 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 353 read *********************** Name C13727_2p0 1 isomer(s) generated isomer 1: 64 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 10 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 354 read *********************** Name C00352_1p0 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.: 355 read *********************** Name C06248_1p0 1 isomer(s) generated isomer 1: 28 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 356 read *********************** Name C04030_3p0 1 isomer(s) generated isomer 1: 52 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 357 read *********************** Name C04030_4p0 1 isomer(s) generated isomer 1: 52 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 80 ms *** RECORD no.: 358 read *********************** Name C07277_3p0 1 isomer(s) generated isomer 1: 61 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 150 ms *** RECORD no.: 359 read *********************** Name C03115_1p0 1 isomer(s) generated isomer 1: 55 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 360 read *********************** Name C00202_1p0 1 isomer(s) generated isomer 1: 27 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 361 read *********************** Name C00202_2p0 1 isomer(s) generated isomer 1: 27 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 362 read *********************** Name D01982_4p0 1 isomer(s) generated isomer 1: 67 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 363 read *********************** Name D01982_5p0 1 isomer(s) generated isomer 1: 67 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 364 read *********************** Name C00202_3p0 1 isomer(s) generated isomer 1: 27 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 365 read *********************** Name C03187_3p0 1 isomer(s) generated isomer 1: 61 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 140 ms *** RECORD no.: 366 read *********************** Name C03187_4p0 1 isomer(s) generated isomer 1: 61 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 150 ms *** RECORD no.: 367 read *********************** Name C04563_1p0 1 isomer(s) generated isomer 1: 41 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 368 read *********************** Name C01283_1p0 1 isomer(s) generated isomer 1: 30 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 369 read *********************** Name C03312_4p0 1 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 370 read *********************** Name C01245_1p0 1 isomer(s) generated isomer 1: 35 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 371 read *********************** Name C06606_2p0 1 isomer(s) generated isomer 1: 34 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 372 read *********************** Name C06606_3p0 1 isomer(s) generated isomer 1: 34 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 373 read *********************** Name C04378_2p0 1 isomer(s) generated isomer 1: 37 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 374 read *********************** Name D00972_1p0 1 isomer(s) generated isomer 1: 62 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 440 ms *** RECORD no.: 375 read *********************** Name C07030_4p0 1 isomer(s) generated isomer 1: 70 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 80 ms *** RECORD no.: 376 read *********************** Name C11902_1p0 1 isomer(s) generated isomer 1: 64 atoms INFORMATION gen3d(): 4 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 4 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 377 read *********************** Name C06608_1p0 1 isomer(s) generated isomer 1: 21 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 378 read *********************** Name C03373_2p0 1 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 379 read *********************** Name C12319_4p0 1 isomer(s) generated isomer 1: 62 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: 110 ms *** RECORD no.: 380 read *********************** Name C11926_3p0 1 isomer(s) generated isomer 1: 59 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: 120 ms *** RECORD no.: 381 read *********************** Name C11933_4p0 1 isomer(s) generated isomer 1: 68 atoms INFORMATION gen3d(): 8 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 INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 130 ms *** RECORD no.: 382 read *********************** Name C03906_1p0 1 isomer(s) generated isomer 1: 25 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 383 read *********************** Name C11926_4p0 1 isomer(s) generated isomer 1: 59 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: 130 ms *** RECORD no.: 384 read *********************** Name C04520_1p0 1 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 385 read *********************** Name C00946_2p0 1 isomer(s) generated isomer 1: 37 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 386 read *********************** Name C03614_2p0 1 isomer(s) generated isomer 1: 48 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 387 read *********************** Name C06188_1p0 1 isomer(s) generated isomer 1: 43 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 388 read *********************** Name C00394_3p0 1 isomer(s) generated isomer 1: 64 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 130 ms *** RECORD no.: 389 read *********************** Name C00394_4p0 1 isomer(s) generated isomer 1: 64 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 130 ms *** RECORD no.: 390 read *********************** Name C07645_1p0 1 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 391 read *********************** Name C07645_2p0 1 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 392 read *********************** Name C07645_3p0 1 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 393 read *********************** Name C07645_4p0 1 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 394 read *********************** Name C07645_5p0 1 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 395 read *********************** Name C07645_6p0 1 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 396 read *********************** Name C00361_3p0 1 isomer(s) generated isomer 1: 41 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 397 read *********************** Name C00364_3p0 1 isomer(s) generated isomer 1: 36 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 398 read *********************** Name C02726_3p0 1 isomer(s) generated isomer 1: 28 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 399 read *********************** Name C13740_2p0 1 isomer(s) generated isomer 1: 47 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 400 read *********************** Name C11927_3p0 1 isomer(s) generated isomer 1: 58 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 130 ms *** RECORD no.: 401 read *********************** Name C11927_4p0 1 isomer(s) generated isomer 1: 58 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 402 read *********************** Name C14235_1p0 1 isomer(s) generated isomer 1: 40 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 403 read *********************** Name C12320_3p0 1 isomer(s) generated isomer 1: 62 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 404 read *********************** Name C12320_4p0 1 isomer(s) generated isomer 1: 62 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: 110 ms *** RECORD no.: 405 read *********************** Name C06192_2p0 1 isomer(s) generated isomer 1: 63 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 406 read *********************** Name C06192_3p0 1 isomer(s) generated isomer 1: 63 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 407 read *********************** Name C11516_1p0 1 isomer(s) generated isomer 1: 39 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 408 read *********************** Name C06019_1p0 1 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 409 read *********************** Name C00075_3p0 1 isomer(s) generated isomer 1: 42 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 410 read *********************** Name C04713_2p0 1 isomer(s) generated isomer 1: 50 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 411 read *********************** Name C05859_1p0 1 isomer(s) generated isomer 1: 51 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 412 read *********************** Name C11915_3p0 1 isomer(s) generated isomer 1: 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: 140 ms *** RECORD no.: 413 read *********************** Name C11434_1p0 1 isomer(s) generated isomer 1: 26 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 414 read *********************** Name C05696_5p0 1 isomer(s) generated isomer 1: 46 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 415 read *********************** Name C00227_2p0 1 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 416 read *********************** Name C01337_3p0 1 isomer(s) generated isomer 1: 41 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 417 read *********************** Name C04628_2p0 1 isomer(s) generated isomer 1: 43 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 418 read *********************** Name C11925_4p0 1 isomer(s) generated isomer 1: 62 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 130 ms *** RECORD no.: 419 read *********************** Name C00128_4p0 1 isomer(s) generated isomer 1: 73 atoms INFORMATION gen3d(): 8 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(): 7 pair(s) of crowded atoms WARNING rrefine(): 3 pair(s) of crowded atoms INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 170 ms *** RECORD no.: 420 read *********************** Name C11351_3p0 1 isomer(s) generated isomer 1: 36 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 421 read *********************** Name C06054_1p0 1 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 422 read *********************** Name C01151_1p0 1 isomer(s) generated isomer 1: 28 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 423 read *********************** Name C04640_3p0 1 isomer(s) generated isomer 1: 36 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 424 read *********************** Name C12318_4p0 1 isomer(s) generated isomer 1: 59 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 130 ms *** RECORD no.: 425 read *********************** Name C05921_4p0 1 isomer(s) generated isomer 1: 67 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 60 ms *** RECORD no.: 426 read *********************** Name C05921_5p0 1 isomer(s) generated isomer 1: 67 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 427 read *********************** Name C03360_1p0 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.: 428 read *********************** Name C03393_1p0 1 isomer(s) generated isomer 1: 22 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 429 read *********************** Name C05820_6p0 1 isomer(s) generated isomer 1: 50 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 430 read *********************** Name C00119_1p0 1 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 431 read *********************** Name C03851_2p0 1 isomer(s) generated isomer 1: 39 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 432 read *********************** Name C03506_1p0 1 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 433 read *********************** Name C03851_3p0 1 isomer(s) generated isomer 1: 39 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 434 read *********************** Name C00455_2p0 1 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 435 read *********************** Name C11912_3p0 1 isomer(s) generated isomer 1: 61 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 130 ms *** RECORD no.: 436 read *********************** Name C11923_3p0 1 isomer(s) generated isomer 1: 60 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 130 ms *** RECORD no.: 437 read *********************** Name C11923_4p0 1 isomer(s) generated isomer 1: 60 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 140 ms *** RECORD no.: 438 read *********************** Name C08249_2p0 1 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 439 read *********************** Name C11912_4p0 1 isomer(s) generated isomer 1: 61 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 160 ms *** RECORD no.: 440 read *********************** Name C02883_1p0 1 isomer(s) generated isomer 1: 27 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 441 read *********************** Name C01081_2p0 1 isomer(s) generated isomer 1: 40 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 442 read *********************** Name C04534_1p0 1 isomer(s) generated isomer 1: 50 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 24 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 WARNING rrefine(): 4 pair(s) of crowded atoms WARNING rrefine(): 4 pair(s) of crowded atoms INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 60 ms *** RECORD no.: 443 read *********************** Name C11901_1p0 1 isomer(s) generated isomer 1: 64 atoms INFORMATION gen3d(): 4 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 4 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 444 read *********************** Name C03103_1p0 1 isomer(s) generated isomer 1: 68 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 3 pair(s) of crowded atoms WARNING rrefine(): 7 pair(s) of crowded atoms WARNING rrefine(): 10 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 445 read *********************** Name C00043_4p0 1 isomer(s) generated isomer 1: 66 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 3 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 3 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 446 read *********************** Name C00043_5p0 1 isomer(s) generated isomer 1: 66 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 4 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 3 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 140 ms *** RECORD no.: 447 read *********************** Name C06369_1p0 1 isomer(s) generated isomer 1: 28 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 448 read *********************** Name C07836_1p0 1 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 449 read *********************** Name C01267_1p0 1 isomer(s) generated isomer 1: 23 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 450 read *********************** Name C04582_1p0 1 isomer(s) generated isomer 1: 28 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 451 read *********************** Name C02280_3p0 1 isomer(s) generated isomer 1: 64 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 140 ms *** RECORD no.: 452 read *********************** Name C02280_4p0 1 isomer(s) generated isomer 1: 64 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 453 read *********************** Name C04426_4p0 1 isomer(s) generated isomer 1: 70 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 3 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(): 3 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 160 ms *** RECORD no.: 454 read *********************** Name C06623_3p0 1 isomer(s) generated isomer 1: 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: 140 ms *** RECORD no.: 455 read *********************** Name C06623_4p0 1 isomer(s) generated isomer 1: 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: 140 ms *** RECORD no.: 456 read *********************** Name C03734_2p0 1 isomer(s) generated isomer 1: 24 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 457 read *********************** Name C01302_1p0 1 isomer(s) generated isomer 1: 39 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 458 read *********************** Name C00286_3p0 1 isomer(s) generated isomer 1: 45 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 459 read *********************** Name C00169_2p0 1 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 460 read *********************** Name C00085_1p0 1 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 8 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 461 read *********************** Name C11930_3p0 1 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 462 read *********************** Name C11930_4p0 1 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 463 read *********************** Name C11732_1p0 1 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 464 read *********************** Name C04590_1p0 1 isomer(s) generated isomer 1: 71 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 465 read *********************** Name C11638_1p0 1 isomer(s) generated isomer 1: 18 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 466 read *********************** Name C01218_1p0 1 isomer(s) generated isomer 1: 28 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 467 read *********************** Name C00354_1p0 1 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 8 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 468 read *********************** Name C00096_4p0 1 isomer(s) generated isomer 1: 64 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 140 ms *** RECORD no.: 469 read *********************** Name C04229_1p0 1 isomer(s) generated isomer 1: 31 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 470 read *********************** Name C05923_4p0 1 isomer(s) generated isomer 1: 47 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 471 read *********************** Name C02888_1p0 1 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 472 read *********************** Name C11174_1p0 1 isomer(s) generated isomer 1: 48 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 473 read *********************** Name C12215_2p0 1 isomer(s) generated isomer 1: 22 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 474 read *********************** Name C07838_1p0 1 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 9 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 475 read *********************** Name C00128_5p0 1 isomer(s) generated isomer 1: 73 atoms INFORMATION gen3d(): 8 conformation(s) cached 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(): 8 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 170 ms *** RECORD no.: 476 read *********************** Name C00279_1p0 1 isomer(s) generated isomer 1: 21 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 477 read *********************** Name C01581_4p0 1 isomer(s) generated isomer 1: 64 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 140 ms *** RECORD no.: 478 read *********************** Name C11732_2p0 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.: 479 read *********************** Name C11732_3p0 1 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 480 read *********************** Name C04064_1p0 1 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 481 read *********************** Name C14513_1p0 1 isomer(s) generated isomer 1: 30 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 482 read *********************** Name C06149_5p0 1 isomer(s) generated isomer 1: