corina 3.20 0003 11.05.2005 joha 02. 02. 2006 19:57 meatpuppet. Input file type SMILES 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 c1_b1-7_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 C00003_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 53 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 53 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 160 ms *** RECORD no.: 2 read *********************** Name C00004_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 53 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 53 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 170 ms *** RECORD no.: 3 read *********************** Name C00005_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 57 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 57 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 200 ms *** RECORD no.: 4 read *********************** Name C00006_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 57 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated isomer 2: 57 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 200 ms *** RECORD no.: 5 read *********************** Name C00010_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 54 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 54 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 210 ms *** RECORD no.: 6 read *********************** Name C00010_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 54 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 54 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 240 ms WARNING covabo(): Ambiguous amide bond N(34)-C(41) WARNING covabo(): Ambiguous amide bond N(39)-C(37) *** RECORD no.: 7 read *********************** Name C00043_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 50 atoms INFORMATION gen3d(): 9 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 9 conformation(s) generated isomer 2: 50 atoms INFORMATION gen3d(): 9 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 190 ms *** RECORD no.: 8 read *********************** Name C00051_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 23 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 23 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 9 read *********************** Name C00051_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 23 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 23 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 10 read *********************** Name C00064_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 11 read *********************** Name C00072_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 15 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 2: 15 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 10 ms WARNING covabo(): Ambiguous amide bond N(31)-C(29) *** RECORD no.: 12 read *********************** Name C00101_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 36 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated isomer 2: 36 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 13 read *********************** Name C00120_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 20 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 14 read *********************** Name C00127_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 45 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 45 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 15 read *********************** Name C00127_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 45 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 45 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms WARNING covabo(): Ambiguous amide bond N(39)-C(44) *** RECORD no.: 16 read *********************** Name C00128_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 51 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 51 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 290 ms *** RECORD no.: 17 read *********************** Name C00140_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 21 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 21 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 60 ms WARNING covabo(): Ambiguous amide bond N(31)-C(29) *** RECORD no.: 18 read *********************** Name C00143_1p0 2 stereo center(s) 4 isomer(s) generated isomer 1: 37 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated isomer 2: 37 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 3: 37 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated isomer 4: 37 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 190 ms *** RECORD no.: 19 read *********************** Name C00152_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 20 read *********************** Name C00153_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 10 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 21 read *********************** Name C00169_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 22 read *********************** Name C00198_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 17 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 17 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 50 ms WARNING covabo(): Ambiguous amide bond N(34)-C(41) WARNING covabo(): Ambiguous amide bond N(39)-C(37) *** RECORD no.: 23 read *********************** Name C00203_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 50 atoms INFORMATION gen3d(): 9 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 9 conformation(s) generated isomer 2: 50 atoms INFORMATION gen3d(): 9 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 150 ms *** RECORD no.: 24 read *********************** Name C00227_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms WARNING covabo(): Ambiguous amide bond N(31)-C(29) *** RECORD no.: 25 read *********************** Name C00234_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated isomer 2: 38 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 26 read *********************** Name C00236_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 17 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 17 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 27 read *********************** Name C00248_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 14 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 28 read *********************** Name C00268_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 21 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated isomer 2: 21 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 29 read *********************** Name C00270_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 27 atoms INFORMATION gen3d(): 8 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 8 conformation(s) generated isomer 2: 27 atoms INFORMATION gen3d(): 8 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 80 ms *** RECORD no.: 30 read *********************** Name C00290_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 31 read *********************** Name C00290_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 32 read *********************** Name C00327_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 33 read *********************** Name C00337_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 34 read *********************** Name C00337_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 35 read *********************** Name C00357_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 25 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 25 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 80 ms *** RECORD no.: 36 read *********************** Name C00373_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 45 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 45 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 330 ms *** RECORD no.: 37 read *********************** Name C00373_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 45 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated isomer 2: 45 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 580 ms *** RECORD no.: 38 read *********************** Name C00373_3p0 2 stereo center(s) 4 isomer(s) generated isomer 1: 45 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated isomer 2: 45 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated isomer 3: 45 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated isomer 4: 45 atoms INFORMATION gen3d(): 8 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 1080 ms *** RECORD no.: 39 read *********************** Name C00373_4p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 45 atoms INFORMATION gen3d(): 9 conformation(s) cached INFORMATION gen3d(): 9 conformation(s) generated isomer 2: 45 atoms INFORMATION gen3d(): 9 conformation(s) cached INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 410 ms *** RECORD no.: 40 read *********************** Name C00373_5p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 45 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated isomer 2: 45 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 480 ms *** RECORD no.: 41 read *********************** Name C00373_6p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 45 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated isomer 2: 45 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 450 ms *** RECORD no.: 42 read *********************** Name C00386_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 19 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 19 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms WARNING covabo(): Ambiguous amide bond N(28)-C(26) *** RECORD no.: 43 read *********************** Name C00415_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 35 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated isomer 2: 35 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 44 read *********************** Name C00425_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 15 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated isomer 2: 15 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 45 read *********************** Name C00429_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 2: 9 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 46 read *********************** Name C00429_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated isomer 2: 9 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 47 read *********************** Name C00436_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 48 read *********************** Name C00437_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 49 read *********************** Name C00438_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms WARNING covabo(): Ambiguous amide bond N(6)-C(4) *** RECORD no.: 50 read *********************** Name C00440_1p0 2 stereo center(s) 4 isomer(s) generated isomer 1: 37 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated isomer 2: 37 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated isomer 3: 37 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated isomer 4: 37 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated Elapsed time: 140 ms WARNING covabo(): Ambiguous amide bond N(31)-C(29) *** RECORD no.: 51 read *********************** Name C00445_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 37 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated isomer 2: 37 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 52 read *********************** Name C00455_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 27 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 27 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 70 ms WARNING smilesct(): Incomplete EZ specification--ignored Cc1c(c([nH]c1/C=C\2/C(=C(C(N2)(O)[O-])C=C)C)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O ^ WARNING smilesct(): Incomplete EZ specification--ignored Cc1c(c([nH]c1/C=C\2/C(=C(C(N2)(O)[O-])C=C)C)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O ^ *** RECORD no.: 53 read *********************** Name C00486_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 46 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 46 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 50 ms WARNING smilesct(): Incomplete EZ specification--ignored Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(N4)(O)[O-])C)C=C)C)CCC(=O)O)CCC(=O)O ^ WARNING smilesct(): Incomplete EZ specification--ignored Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(N4)(O)[O-])C)C=C)C)CCC(=O)O)CCC(=O)O ^ *** RECORD no.: 54 read *********************** Name C00486_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 46 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 46 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 55 read *********************** Name C00495_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 25 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 25 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 56 read *********************** Name C00499_1p0 2 stereo center(s) 4 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 3: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 4: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms WARNING smilesct(): Incomplete EZ specification--ignored Cc1c(c([nH]c1/C=C\2/C(=C(C(N2)(O)[O-])C)C=C)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O ^ WARNING smilesct(): Incomplete EZ specification--ignored Cc1c(c([nH]c1/C=C\2/C(=C(C(N2)(O)[O-])C)C=C)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O ^ WARNING smilesct(): Incomplete EZ specification--ignored Cc1c(c([nH]c1/C=C\2/C(=C(C(N2)(O)[O-])C)C=C)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O ^ *** RECORD no.: 57 read *********************** Name C00500_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 45 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 45 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 70 ms WARNING smilesct(): Incomplete EZ specification--ignored Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C)C=C)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(N4)(O)[O-])C=C)C)C)CCC(=O)O)CCC(=O)O ^ WARNING smilesct(): Incomplete EZ specification--ignored Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C)C=C)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(N4)(O)[O-])C=C)C)C)CCC(=O)O)CCC(=O)O ^ WARNING smilesct(): Incomplete EZ specification--ignored Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C)C=C)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(N4)(O)[O-])C=C)C)C)CCC(=O)O)CCC(=O)O ^ *** RECORD no.: 58 read *********************** Name C00500_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 45 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 45 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 60 ms WARNING covabo(): Ambiguous amide bond N(31)-C(29) *** RECORD no.: 59 read *********************** Name C00504_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 35 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 35 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 60 read *********************** Name C00548_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 11 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 61 read *********************** Name C00563_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 46 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 46 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 320 ms *** RECORD no.: 62 read *********************** Name C00579_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 63 read *********************** Name C00603_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 64 read *********************** Name C00611_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 37 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 37 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: 160 ms *** RECORD no.: 65 read *********************** Name C00612_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 66 read *********************** Name C00624_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 15 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 15 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 67 read *********************** Name C00645_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 21 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 21 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 68 read *********************** Name C00652_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 14 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms WARNING covabo(): Ambiguous amide bond N(31)-C(29) *** RECORD no.: 69 read *********************** Name C00664_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated isomer 2: 38 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 70 read *********************** Name C00669_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 19 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 19 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 71 read *********************** Name C00732_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 26 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 26 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 72 read *********************** Name C00772_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 12 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 73 read *********************** Name C00773_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 56 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 74 read *********************** Name C00773_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 56 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 75 read *********************** Name C00773_3p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 56 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 76 read *********************** Name C00773_4p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 56 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 180 ms *** RECORD no.: 77 read *********************** Name C00773_5p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 56 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 78 read *********************** Name C00791_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated isomer 2: 9 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 79 read *********************** Name C00802_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 80 read *********************** Name C00802_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 81 read *********************** Name C00813_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated isomer 2: 10 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 82 read *********************** Name C00813_3p0 1 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 83 read *********************** Name C00819_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 84 read *********************** Name C00831_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 20 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 85 read *********************** Name C00831_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 20 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 86 read *********************** Name C00849_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 7 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 7 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 87 read *********************** Name C00851_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 40 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 40 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: 190 ms *** RECORD no.: 88 read *********************** Name C00851_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 40 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 40 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 190 ms *** RECORD no.: 89 read *********************** Name C00852_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 29 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 90 read *********************** Name C00859_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 30 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 2: 30 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 91 read *********************** Name C00864_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 17 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 17 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 92 read *********************** Name C00882_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 50 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated isomer 2: 50 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated Elapsed time: 180 ms *** RECORD no.: 93 read *********************** Name C00882_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 50 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated isomer 2: 50 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated Elapsed time: 190 ms *** RECORD no.: 94 read *********************** Name C00884_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 20 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 95 read *********************** Name C00906_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 2: 11 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 96 read *********************** Name C00906_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 4 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 4 conformation(s) generated isomer 2: 11 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 97 read *********************** Name C00916_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 2: 32 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 98 read *********************** Name C00916_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 2: 32 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 99 read *********************** Name C00916_3p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 2: 32 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 100 read *********************** Name C00918_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 23 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 23 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 101 read *********************** Name C00927_1p0 2 stereo center(s) 4 isomer(s) generated isomer 1: 40 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 2: 40 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 3: 40 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 4: 40 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 102 read *********************** Name C00927_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 40 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 40 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 103 read *********************** Name C00933_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 23 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 23 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 104 read *********************** Name C00940_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 105 read *********************** Name C00971_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 106 read *********************** Name C00977_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 18 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 18 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 107 read *********************** Name C00978_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 18 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 18 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 108 read *********************** Name C00979_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 109 read *********************** Name C00990_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 110 read *********************** Name C00993_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 111 read *********************** Name C00994_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 23 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated isomer 2: 23 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 112 read *********************** Name C01007_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated isomer 2: 32 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 113 read *********************** Name C01007_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 32 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 32 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 114 read *********************** Name C01010_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 8 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 115 read *********************** Name C01012_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated isomer 2: 11 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 116 read *********************** Name C01029_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 117 read *********************** Name C01031_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 25 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 25 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 118 read *********************** Name C01031_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 25 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 25 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 119 read *********************** Name C01040_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 17 atoms INFORMATION gen3d(): 6 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 6 conformation(s) generated isomer 2: 17 atoms INFORMATION gen3d(): 6 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 6 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 120 read *********************** Name C01041_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 15 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 2: 15 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 121 read *********************** Name C01042_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 122 read *********************** Name C01043_1p0 2 stereo center(s) 4 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 3: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 4: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 123 read *********************** Name C01047_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms WARNING covabo(): Ambiguous amide bond N(41)-C(48) WARNING covabo(): Ambiguous amide bond N(46)-C(44) *** RECORD no.: 124 read *********************** Name C01050_1p0 1 stereo center(s) 2 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 INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 56 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: 300 ms *** RECORD no.: 125 read *********************** Name C01073_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 126 read *********************** Name C01077_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 127 read *********************** Name C01091_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 34 atoms INFORMATION gen3d(): 6 conformation(s) cached WARNING rrefine(): 9 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 6 conformation(s) generated isomer 2: 34 atoms INFORMATION gen3d(): 6 conformation(s) cached WARNING rrefine(): 4 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 6 conformation(s) generated Elapsed time: 180 ms *** RECORD no.: 128 read *********************** Name C01093_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 33 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.: 129 read *********************** Name C01109_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 130 read *********************** Name C01114_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 14 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 131 read *********************** Name C01115_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 17 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated isomer 2: 17 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 132 read *********************** Name C01118_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 17 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 17 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 133 read *********************** Name C01125_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated isomer 2: 10 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 134 read *********************** Name C01132_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 21 atoms INFORMATION gen3d(): 9 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 9 conformation(s) generated isomer 2: 21 atoms INFORMATION gen3d(): 9 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 70 ms *** RECORD no.: 135 read *********************** Name C01133_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 21 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 21 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 136 read *********************** Name C01134_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 24 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 24 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 137 read *********************** Name C01134_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 24 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 24 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 138 read *********************** Name C01136_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 17 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 17 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 139 read *********************** Name C01136_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 17 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 17 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 140 read *********************** Name C01158_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 29 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 80 ms *** RECORD no.: 141 read *********************** Name C01169_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 21 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 21 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 142 read *********************** Name C01169_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 21 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 21 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms WARNING covabo(): Ambiguous amide bond N(34)-C(41) WARNING covabo(): Ambiguous amide bond N(39)-C(37) *** RECORD no.: 143 read *********************** Name C01170_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 50 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 3 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 50 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 3 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 220 ms *** RECORD no.: 144 read *********************** Name C01175_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 33 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 145 read *********************** Name C01192_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 28 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 28 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 146 read *********************** Name C01215_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 147 read *********************** Name C01223_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 17 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 17 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 148 read *********************** Name C01223_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 17 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 17 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 149 read *********************** Name C01236_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 21 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 21 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 150 read *********************** Name C01239_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 21 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 INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 21 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 INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 70 ms *** RECORD no.: 151 read *********************** Name C01250_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 14 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 152 read *********************** Name C01255_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 18 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 18 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 153 read *********************** Name C01262_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 19 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 19 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 154 read *********************** Name C01278_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 2: 14 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 155 read *********************** Name C01310_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 35 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 35 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 140 ms *** RECORD no.: 156 read *********************** Name C01313_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 28 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 28 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 157 read *********************** Name C01314_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 30 atoms INFORMATION gen3d(): 9 conformation(s) cached INFORMATION gen3d(): 9 conformation(s) generated isomer 2: 30 atoms INFORMATION gen3d(): 9 conformation(s) cached INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 158 read *********************** Name C01315_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 38 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 159 read *********************** Name C01315_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 38 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 150 ms *** RECORD no.: 160 read *********************** Name C01315_3p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 38 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 161 read *********************** Name C01316_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 40 atoms INFORMATION gen3d(): 8 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 8 conformation(s) generated isomer 2: 40 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 190 ms *** RECORD no.: 162 read *********************** Name C01316_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 40 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 5 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 4 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 40 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 13 pair(s) of crowded atoms WARNING rrefine(): 13 pair(s) of crowded atoms WARNING rrefine(): 5 pair(s) of crowded atoms WARNING rrefine(): 3 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 200 ms *** RECORD no.: 163 read *********************** Name C01316_3p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 40 atoms INFORMATION gen3d(): 8 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 8 conformation(s) generated isomer 2: 40 atoms INFORMATION gen3d(): 8 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 210 ms *** RECORD no.: 164 read *********************** Name C01341_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 29 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 165 read *********************** Name C01341_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 29 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 29 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 166 read *********************** Name C01404_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 16 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 16 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 167 read *********************** Name C01405_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 14 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 168 read *********************** Name C01410_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 18 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 18 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 169 read *********************** Name C01410_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 18 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 18 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 170 read *********************** Name C01416_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 27 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 2: 27 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 171 read *********************** Name C01416_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 27 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 2: 27 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 172 read *********************** Name C01419_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 173 read *********************** Name C01425_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 22 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 22 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 174 read *********************** Name C01433_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 38 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 140 ms *** RECORD no.: 175 read *********************** Name C01443_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 53 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 53 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 1150 ms *** RECORD no.: 176 read *********************** Name C01444_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 7 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 7 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 177 read *********************** Name C01458_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 17 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 17 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 178 read *********************** Name C01479_1p0 2 stereo center(s) 8 isomer(s) generated isomer 1: 25 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 2: 25 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 3: 25 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 4: 25 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 5: 25 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 6: 25 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 7: 25 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 8: 25 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 130 ms *** RECORD no.: 179 read *********************** Name C01483_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 180 read *********************** Name C01483_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 181 read *********************** Name C01537_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 7 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 7 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 182 read *********************** Name C01540_1p0 2 stereo center(s) 4 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 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 isomer 2: 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 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 isomer 3: 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 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 isomer 4: 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 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: 600 ms *** RECORD no.: 183 read *********************** Name C01540_2p0 2 stereo center(s) 4 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 3: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 4: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 570 ms *** RECORD no.: 184 read *********************** Name C01540_3p0 2 stereo center(s) 4 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 3: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 4: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 620 ms *** RECORD no.: 185 read *********************** Name C01540_4p0 2 stereo center(s) 4 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 3: 56 atoms INFORMATION gen3d(): 10 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(): 2 pair(s) of crowded atoms 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(): 2 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 isomer 4: 56 atoms INFORMATION gen3d(): 10 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(): 2 pair(s) of crowded atoms 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(): 2 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: 610 ms *** RECORD no.: 186 read *********************** Name C01540_5p0 2 stereo center(s) 4 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 3: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 4: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 540 ms *** RECORD no.: 187 read *********************** Name C01540_6p0 2 stereo center(s) 4 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 3: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 4: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 520 ms *** RECORD no.: 188 read *********************** Name C01540_7p0 2 stereo center(s) 4 isomer(s) generated isomer 1: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 3: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 4: 56 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 710 ms *** RECORD no.: 189 read *********************** Name C01550_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 21 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 21 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 190 read *********************** Name C01551_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 191 read *********************** Name C01551_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 192 read *********************** Name C01551_3p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 193 read *********************** Name C01552_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 39 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 39 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 60 ms *** RECORD no.: 194 read *********************** Name C01552_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 39 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 39 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 195 read *********************** Name C01552_3p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 39 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 39 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 196 read *********************** Name C01564_1p0 2 stereo center(s) 4 isomer(s) generated isomer 1: 23 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated isomer 2: 23 atoms INFORMATION gen3d(): 9 conformation(s) cached INFORMATION gen3d(): 9 conformation(s) generated isomer 3: 23 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated isomer 4: 23 atoms INFORMATION gen3d(): 9 conformation(s) cached INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 90 ms WARNING covabo(): Ambiguous amide bond N(25)-C(30) *** RECORD no.: 197 read *********************** Name C01567_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 34 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 34 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 198 read *********************** Name C01572_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 24 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 24 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 199 read *********************** Name C01576_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 53 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated isomer 2: 53 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 6 conformation(s) generated Elapsed time: 190 ms *** RECORD no.: 200 read *********************** Name C01586_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 14 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 201 read *********************** Name C01591_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 34 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 34 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 202 read *********************** Name C01591_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 34 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 34 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 203 read *********************** Name C01591_3p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 34 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 34 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 204 read *********************** Name C01596_1p0 2 stereo center(s) 4 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 3: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 4: 9 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 205 read *********************** Name C01598_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 19 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 19 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 206 read *********************** Name C01608_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 24 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated isomer 2: 24 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 207 read *********************** Name C01610_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 40 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated isomer 2: 40 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 130 ms *** RECORD no.: 208 read *********************** Name C01619_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 19 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 19 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 209 read *********************** Name C01621_1p0 2 stereo center(s) 4 isomer(s) generated isomer 1: 25 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 25 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 3: 25 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 4: 25 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 210 read *********************** Name C01626_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 37 atoms INFORMATION gen3d(): 6 conformation(s) cached WARNING rrefine(): 9 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 4 pair(s) of crowded atoms INFORMATION gen3d(): 6 conformation(s) generated isomer 2: 37 atoms INFORMATION gen3d(): 6 conformation(s) cached WARNING rrefine(): 4 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 2 pair(s) of crowded atoms INFORMATION gen3d(): 6 conformation(s) generated Elapsed time: 210 ms *** RECORD no.: 211 read *********************** Name C01626_2p0 1 stereo center(s) 2 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 isomer 2: 37 atoms INFORMATION gen3d(): 7 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 290 ms *** RECORD no.: 212 read *********************** Name C01631_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 36 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 36 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 213 read *********************** Name C01631_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 36 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 36 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 214 read *********************** Name C01632_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 24 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated isomer 2: 24 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 60 ms *** RECORD no.: 215 read *********************** Name C01632_2p0 2 stereo center(s) 4 isomer(s) generated isomer 1: 24 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated isomer 2: 24 atoms INFORMATION gen3d(): 9 conformation(s) cached INFORMATION gen3d(): 9 conformation(s) generated isomer 3: 24 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated isomer 4: 24 atoms INFORMATION gen3d(): 9 conformation(s) cached INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 160 ms *** RECORD no.: 216 read *********************** Name C01657_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 20 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 217 read *********************** Name C01657_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 20 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 218 read *********************** Name C01659_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 6 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 6 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 219 read *********************** Name C01670_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 24 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 24 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 220 read *********************** Name C01670_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 24 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 24 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 221 read *********************** Name C01674_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 40 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 40 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: 200 ms *** RECORD no.: 222 read *********************** Name C01674_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 40 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 40 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 190 ms *** RECORD no.: 223 read *********************** Name C01675_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 27 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 27 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 224 read *********************** Name C01692_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 17 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 17 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 225 read *********************** Name C01699_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 30 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 30 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 226 read *********************** Name C01700_1p0 2 stereo center(s) 4 isomer(s) generated isomer 1: 55 atoms INFORMATION gen3d(): 1 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 55 atoms INFORMATION gen3d(): 1 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 3: 55 atoms INFORMATION gen3d(): 1 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 4: 55 atoms INFORMATION gen3d(): 1 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 140 ms *** RECORD no.: 227 read *********************** Name C01700_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 55 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 55 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 228 read *********************** Name C01700_3p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 55 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 55 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 229 read *********************** Name C01700_4p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 55 atoms INFORMATION gen3d(): 1 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 55 atoms INFORMATION gen3d(): 1 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 80 ms *** RECORD no.: 230 read *********************** Name C01700_5p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 55 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 55 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 231 read *********************** Name C01700_6p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 55 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 55 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 232 read *********************** Name C01761_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 33 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 233 read *********************** Name C01770_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 7 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 5 conformation(s) generated isomer 2: 7 atoms INFORMATION gen3d(): 6 conformation(s) cached INFORMATION gen3d(): 5 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 234 read *********************** Name C01779_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 20 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 235 read *********************** Name C01833_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 23 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated isomer 2: 23 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 236 read *********************** Name C01833_2p0 2 stereo center(s) 4 isomer(s) generated isomer 1: 23 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated isomer 2: 23 atoms INFORMATION gen3d(): 9 conformation(s) cached INFORMATION gen3d(): 9 conformation(s) generated isomer 3: 23 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated isomer 4: 23 atoms INFORMATION gen3d(): 9 conformation(s) cached INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 210 ms *** RECORD no.: 237 read *********************** Name C01842_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 8 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 238 read *********************** Name C01843_1p0 2 stereo center(s) 4 isomer(s) generated isomer 1: 26 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated isomer 2: 26 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated isomer 3: 26 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated isomer 4: 26 atoms INFORMATION gen3d(): 8 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 280 ms *** RECORD no.: 239 read *********************** Name C01843_2p0 2 stereo center(s) 4 isomer(s) generated isomer 1: 26 atoms INFORMATION gen3d(): 9 conformation(s) cached INFORMATION gen3d(): 9 conformation(s) generated isomer 2: 26 atoms INFORMATION gen3d(): 9 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 9 conformation(s) generated isomer 3: 26 atoms INFORMATION gen3d(): 9 conformation(s) cached INFORMATION gen3d(): 9 conformation(s) generated isomer 4: 26 atoms INFORMATION gen3d(): 9 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 270 ms *** RECORD no.: 240 read *********************** Name C01844_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 39 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 2: 39 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 60 ms *** RECORD no.: 241 read *********************** Name C01850_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 28 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 28 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 242 read *********************** Name C01851_1p0 2 stereo center(s) 8 isomer(s) generated isomer 1: 28 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 2: 28 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 3: 28 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 4: 28 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 5: 28 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 6: 28 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 7: 28 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 8: 28 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 120 ms *** RECORD no.: 243 read *********************** Name C01852_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 36 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 36 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 150 ms *** RECORD no.: 244 read *********************** Name C01879_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 11 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 245 read *********************** Name C01880_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 9 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 9 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 246 read *********************** Name C01893_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated isomer 2: 20 atoms INFORMATION gen3d(): 8 conformation(s) cached INFORMATION gen3d(): 8 conformation(s) generated Elapsed time: 70 ms *** RECORD no.: 247 read *********************** Name C01893_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 20 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 20 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 WARNING covabo(): Ambiguous amide bond N(7)-C(8) *** RECORD no.: 248 read *********************** Name C01897_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 27 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated isomer 2: 27 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 249 read *********************** Name C01905_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 250 read *********************** Name C01909_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 18 atoms INFORMATION gen3d(): 9 conformation(s) cached INFORMATION gen3d(): 9 conformation(s) generated isomer 2: 18 atoms INFORMATION gen3d(): 9 conformation(s) cached INFORMATION gen3d(): 9 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 251 read *********************** Name C01921_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 43 atoms INFORMATION gen3d(): 6 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(): 6 conformation(s) generated isomer 2: 43 atoms INFORMATION gen3d(): 6 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(): 6 conformation(s) generated Elapsed time: 510 ms *** RECORD no.: 252 read *********************** Name C01926_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 26 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 26 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 253 read *********************** Name C01930_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 12 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 254 read *********************** Name C01937_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 35 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 35 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 255 read *********************** Name C01941_1p0 2 stereo center(s) 4 isomer(s) generated isomer 1: 40 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 2: 40 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 3: 40 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 4: 40 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 256 read *********************** Name C01941_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 40 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 40 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 257 read *********************** Name C01946_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 66 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 3 pair(s) of crowded atoms WARNING rrefine(): 35 pair(s) of crowded atoms WARNING rrefine(): 15 pair(s) of crowded atoms WARNING rrefine(): 30 pair(s) of crowded atoms WARNING rrefine(): 19 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(): 24 pair(s) of crowded atoms WARNING rrefine(): 34 pair(s) of crowded atoms WARNING rrefine(): 8 pair(s) of crowded atoms WARNING rrefine(): 7 pair(s) of crowded atoms WARNING rrefine(): 7 pair(s) of crowded atoms INFORMATION gen3d(): 9 conformation(s) generated isomer 2: 66 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 2 pair(s) of crowded atoms WARNING rrefine(): 26 pair(s) of crowded atoms WARNING rrefine(): 13 pair(s) of crowded atoms WARNING rrefine(): 26 pair(s) of crowded atoms WARNING rrefine(): 8 pair(s) of crowded atoms WARNING rrefine(): 28 pair(s) of crowded atoms WARNING rrefine(): 26 pair(s) of crowded atoms WARNING rrefine(): 8 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: 720 ms *** RECORD no.: 258 read *********************** Name C01950_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 10 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 259 read *********************** Name C01952_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 38 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 260 read *********************** Name C01952_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 38 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 38 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 261 read *********************** Name C01956_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 10 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 262 read *********************** Name C01963_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 12 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 263 read *********************** Name C01996_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms WARNING smilesct(): Incomplete EZ specification--ignored c1cc(ccc1/C=C\2/C(=C(C(O2)(O)[O-])c3ccc(cc3)O)O)O ^ *** RECORD no.: 264 read *********************** Name C02006_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 23 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 23 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms WARNING smilesct(): Incomplete EZ specification--ignored c1cc(ccc1/C=C\2/C(=C(C(O2)(O)[O-])c3cc(cc(c3)O)O)O)O ^ *** RECORD no.: 265 read *********************** Name C02007_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 24 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 24 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms WARNING smilesct(): Incomplete EZ specification--ignored CC(=CCc1cc(ccc1O)/C=C\2/C(=C(C(O2)(O)[O-])c3ccc(c(c3)CC=C(C)C)O)O)C ^ *** RECORD no.: 266 read *********************** Name C02008_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 33 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 40 ms WARNING covabo(): Ambiguous amide bond N(22)-C(27) *** RECORD no.: 267 read *********************** Name C02010_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 35 atoms INFORMATION gen3d(): 5 conformation(s) cached INFORMATION gen3d(): 5 conformation(s) generated isomer 2: 35 atoms INFORMATION gen3d(): 5 conformation(s) cached INFORMATION gen3d(): 5 conformation(s) generated Elapsed time: 100 ms *** RECORD no.: 268 read *********************** Name C02035_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 28 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 2: 28 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 90 ms *** RECORD no.: 269 read *********************** Name C02037_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 270 read *********************** Name C02074_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 49 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 12 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 49 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 12 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 180 ms *** RECORD no.: 271 read *********************** Name C02077_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 6 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 6 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 272 read *********************** Name C02080_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 16 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 16 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 273 read *********************** Name C02080_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 16 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 16 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 274 read *********************** Name C02090_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 53 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 53 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 275 read *********************** Name C02090_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 53 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 53 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 276 read *********************** Name C02090_3p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 53 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 53 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 50 ms *** RECORD no.: 277 read *********************** Name C02090_4p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 53 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 53 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 278 read *********************** Name C02090_5p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 53 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 53 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 279 read *********************** Name C02090_6p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 53 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 53 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 60 ms *** RECORD no.: 280 read *********************** Name C02091_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 11 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 281 read *********************** Name C02108_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 14 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 282 read *********************** Name C02130_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 37 atoms INFORMATION gen3d(): 10 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 37 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.: 283 read *********************** Name C02131_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 284 read *********************** Name C02138_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 27 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 27 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 285 read *********************** Name C02138_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 27 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 27 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 286 read *********************** Name C02138_3p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 27 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 27 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 20 ms WARNING smilesct(): Unnormal valence state CCC1=C(c2cc3c(c(c4n3[Mg+2]n5c(cc1n2)c(c6c5c(c7nc(c4)[C@H]([C@@H]7CCC(=O)O)C)[C@H](C6=O)C(O)([O-])OC)C)C)C=C)C ^ *** RECORD no.: 287 read *********************** Name C02139_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 49 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 49 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 70 ms *** RECORD no.: 288 read *********************** Name C02151_1p0 2 stereo center(s) 4 isomer(s) generated isomer 1: 31 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 2: 31 atoms INFORMATION gen3d(): 2 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 2 conformation(s) generated isomer 3: 31 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 4: 31 atoms INFORMATION gen3d(): 2 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 110 ms *** RECORD no.: 289 read *********************** Name C02155_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 15 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 15 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 290 read *********************** Name C02166_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 48 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 48 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 70 ms *** RECORD no.: 291 read *********************** Name C02166_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 48 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 48 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 60 ms *** RECORD no.: 292 read *********************** Name C02172_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 15 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 15 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 293 read *********************** Name C02172_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 15 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 15 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 294 read *********************** Name C02197_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 26 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated isomer 2: 26 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated Elapsed time: 170 ms *** RECORD no.: 295 read *********************** Name C02202_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 33 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 33 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 296 read *********************** Name C02203_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 30 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 30 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 297 read *********************** Name C02206_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 22 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated isomer 2: 22 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated Elapsed time: 60 ms *** RECORD no.: 298 read *********************** Name C02237_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 11 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated isomer 2: 11 atoms INFORMATION gen3d(): 7 conformation(s) cached INFORMATION gen3d(): 7 conformation(s) generated Elapsed time: 20 ms *** RECORD no.: 299 read *********************** Name C02240_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 8 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 8 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 300 read *********************** Name C02253_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 18 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 18 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 301 read *********************** Name C02258_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 45 atoms INFORMATION gen3d(): 5 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 5 conformation(s) generated isomer 2: 45 atoms INFORMATION gen3d(): 5 conformation(s) cached WARNING rrefine(): 1 pair(s) of crowded atoms WARNING rrefine(): 1 pair(s) of crowded atoms INFORMATION gen3d(): 5 conformation(s) generated Elapsed time: 390 ms *** RECORD no.: 302 read *********************** Name C02266_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated isomer 2: 14 atoms INFORMATION gen3d(): 10 conformation(s) cached INFORMATION gen3d(): 10 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 303 read *********************** Name C02274_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 12 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated isomer 2: 12 atoms INFORMATION gen3d(): 4 conformation(s) cached INFORMATION gen3d(): 4 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 304 read *********************** Name C02290_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 305 read *********************** Name C02297_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 6 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 6 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 306 read *********************** Name C02298_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 14 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 14 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 307 read *********************** Name C02334_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 48 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 48 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 30 ms *** RECORD no.: 308 read *********************** Name C02334_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 48 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 48 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 40 ms *** RECORD no.: 309 read *********************** Name C02334_3p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 48 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 48 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 60 ms *** RECORD no.: 310 read *********************** Name C02348_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 3 conformation(s) cached INFORMATION gen3d(): 3 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 311 read *********************** Name C02348_2p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 2 conformation(s) cached INFORMATION gen3d(): 2 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 312 read *********************** Name C02348_3p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 13 atoms INFORMATION gen3d(): 1 conformation(s) cached INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 0 ms *** RECORD no.: 313 read *********************** Name C02362_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated isomer 2: 10 atoms INFORMATION gen3d(): 1 conformation(s) generated Elapsed time: 10 ms *** RECORD no.: 314 read *********************** Name C02366_1p0 1 stereo center(s) 2 isomer(s) generated isomer 1: 13 atoms INFORMATION gen3d():