corina 3.20 0003 11.05.2005 joha 20. 12. 2006 10:41 meatpuppet. Input file type MDL SDFile Output file type MDL SDFile Options: Writing added hydrogen atoms Removing 2D records from the output Writing failed/erroneous molecules to bb8.3_parts_connect_1_ln_err.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 B24095_1p0 32 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 2 in line 83). *** RECORD no.: 2 read *********************** Name B23044_1p0 29 atoms Elapsed time: 0 ms *** RECORD no.: 3 read *********************** Name B135721_1p0 66 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 34-42 ERROR initster(): Resetting a trans double bond in a small ring to cis: 38-37 Elapsed time: 10 ms *** RECORD no.: 4 read *********************** Name B135721_2p0 66 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-16 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 Elapsed time: 10 ms *** RECORD no.: 5 read *********************** Name B14503_1p0 41 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 20 ms *** RECORD no.: 6 read *********************** Name B40153_1p0 32 atoms Elapsed time: 0 ms *** RECORD no.: 7 read *********************** Name B16041_1p0 46 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 ERROR initster(): Resetting a trans double bond in a small ring to cis: 23-22 ERROR initster(): Resetting a trans double bond in a small ring to cis: 21-20 Elapsed time: 10 ms *** RECORD no.: 8 read *********************** Name B16172_1p0 59 atoms Elapsed time: 0 ms *** RECORD no.: 9 read *********************** Name B33417_1p0 66 atoms Elapsed time: 10 ms *** RECORD no.: 10 read *********************** Name B33417_2p0 66 atoms Elapsed time: 10 ms *** RECORD no.: 11 read *********************** Name B33417_3p0 66 atoms Elapsed time: 0 ms *** RECORD no.: 12 read *********************** Name B33417_4p0 66 atoms Elapsed time: 10 ms *** RECORD no.: 13 read *********************** Name B33417_5p0 66 atoms Elapsed time: 0 ms *** RECORD no.: 14 read *********************** Name B33417_6p0 66 atoms Elapsed time: 10 ms *** RECORD no.: 15 read *********************** Name B24068_1p0 55 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 ERROR initster(): Resetting a trans double bond in a small ring to cis: 21-20 Elapsed time: 10 ms *** RECORD no.: 16 read *********************** Name B16203_1p0 28 atoms Elapsed time: 0 ms *** RECORD no.: 17 read *********************** Name B85062_1p0 46 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 20-25 Elapsed time: 0 ms *** RECORD no.: 18 read *********************** Name B85062_2p0 46 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 Elapsed time: 10 ms *** RECORD no.: 19 read *********************** Name B138032_1p0 23 atoms Elapsed time: 0 ms *** RECORD no.: 20 read *********************** Name B137402_1p0 41 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-16 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 Elapsed time: 10 ms *** RECORD no.: 21 read *********************** Name B06456_1p0 40 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 22 in line 2260). *** RECORD no.: 22 read *********************** Name B06653_1p0 14 atoms Elapsed time: 0 ms *** RECORD no.: 23 read *********************** Name B19772_1p0 54 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 40-45 ERROR initster(): Resetting a trans double bond in a small ring to cis: 44-43 ERROR initster(): Resetting a trans double bond in a small ring to cis: 42-41 Elapsed time: 20 ms *** RECORD no.: 24 read *********************** Name B19772_2p0 54 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 31-30 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 23-28 ERROR initster(): Resetting a trans double bond in a small ring to cis: 27-26 ERROR initster(): Resetting a trans double bond in a small ring to cis: 25-24 Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 25 in line 2530). ERROR rmdl(): Non-standard element (Record no. 25 in line 2539). *** RECORD no.: 25 read *********************** Name B15532_1p0 26 atoms Elapsed time: 0 ms *** RECORD no.: 26 read *********************** Name B00340_1p0 25 atoms Elapsed time: 0 ms *** RECORD no.: 27 read *********************** Name B134595_1p0 34 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 Elapsed time: 0 ms *** RECORD no.: 28 read *********************** Name B78619_1p0 46 atoms Elapsed time: 10 ms *** RECORD no.: 29 read *********************** Name B11847_1p0 23 atoms Elapsed time: 0 ms *** RECORD no.: 30 read *********************** Name B11847_2p0 23 atoms Elapsed time: 0 ms *** RECORD no.: 31 read *********************** Name B11847_3p0 23 atoms Elapsed time: 0 ms *** RECORD no.: 32 read *********************** Name B11847_4p0 23 atoms Elapsed time: 0 ms *** RECORD no.: 33 read *********************** Name B09227_1p0 20 atoms Elapsed time: 0 ms *** RECORD no.: 34 read *********************** Name B83669_1p0 46 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 ERROR initster(): Resetting a trans double bond in a small ring to cis: 27-26 Elapsed time: 10 ms *** RECORD no.: 35 read *********************** Name B31080_1p0 44 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 36 read *********************** Name B34690_1p0 50 atoms Elapsed time: 0 ms *** RECORD no.: 37 read *********************** Name B34690_2p0 50 atoms Elapsed time: 10 ms *** RECORD no.: 38 read *********************** Name B34690_3p0 50 atoms Elapsed time: 0 ms *** RECORD no.: 39 read *********************** Name B138386_1p0 42 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 Elapsed time: 10 ms *** RECORD no.: 40 read *********************** Name B24860_1p0 70 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 34-29 ERROR initster(): Resetting a trans double bond in a small ring to cis: 28-27 ERROR initster(): Resetting a trans double bond in a small ring to cis: 33-32 ERROR initster(): Resetting a trans double bond in a small ring to cis: 31-30 Elapsed time: 10 ms *** RECORD no.: 41 read *********************** Name B06397_1p0 44 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 42 in line 3926). ERROR rmdl(): Non-standard element (Record no. 42 in line 3956). *** RECORD no.: 42 read *********************** Name B79114_1p0 40 atoms Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 43 in line 4012). ERROR rmdl(): Non-standard element (Record no. 43 in line 4015). *** RECORD no.: 43 read *********************** Name B79114_2p0 40 atoms Elapsed time: 0 ms *** RECORD no.: 44 read *********************** Name B10822_1p0 47 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 15-23 ERROR initster(): Resetting a trans double bond in a small ring to cis: 19-18 Elapsed time: 10 ms *** RECORD no.: 45 read *********************** Name B10822_2p0 47 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-16 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 Elapsed time: 0 ms *** RECORD no.: 46 read *********************** Name B08359_1p0 62 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 47 read *********************** Name B08359_2p0 62 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 33-38 ERROR initster(): Resetting a trans double bond in a small ring to cis: 35-34 Elapsed time: 10 ms *** RECORD no.: 48 read *********************** Name B145372_1p0 52 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 ERROR initster(): Resetting a trans double bond in a small ring to cis: 15-14 Elapsed time: 10 ms *** RECORD no.: 49 read *********************** Name B06497_1p0 45 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 22-21 ERROR initster(): Resetting a trans double bond in a small ring to cis: 14-19 ERROR initster(): Resetting a trans double bond in a small ring to cis: 18-17 ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 Elapsed time: 10 ms *** RECORD no.: 50 read *********************** Name B06497_2p0 45 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 51 in line 4881). *** RECORD no.: 51 read *********************** Name B06369_1p0 53 atoms Elapsed time: 20 ms *** RECORD no.: 52 read *********************** Name B77782_1p0 39 atoms Elapsed time: 10 ms *** RECORD no.: 53 read *********************** Name B16033_1p0 32 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 Elapsed time: 0 ms *** RECORD no.: 54 read *********************** Name B04938_1p0 48 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 55 read *********************** Name B15563_1p0 43 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 ERROR initster(): Resetting a trans double bond in a small ring to cis: 22-21 ERROR initster(): Resetting a trans double bond in a small ring to cis: 20-19 Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 56 in line 5347). ERROR rmdl(): Non-standard element (Record no. 56 in line 5363). *** RECORD no.: 56 read *********************** Name B08357_1p0 69 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 36-35 ERROR initster(): Resetting a trans double bond in a small ring to cis: 34-33 Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 57 in line 5518). ERROR rmdl(): Non-standard element (Record no. 57 in line 5534). *** RECORD no.: 57 read *********************** Name B08357_2p0 69 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 60-59 ERROR initster(): Resetting a trans double bond in a small ring to cis: 58-57 Elapsed time: 20 ms *** RECORD no.: 58 read *********************** Name B20247_1p0 44 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 59 read *********************** Name B19105_1p0 34 atoms Elapsed time: 10 ms *** RECORD no.: 60 read *********************** Name B20247_2p0 44 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 17-16 ERROR initster(): Resetting a trans double bond in a small ring to cis: 9-14 ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 61 in line 5909). ERROR rmdl(): Non-standard element (Record no. 61 in line 5923). *** RECORD no.: 61 read *********************** Name B15531_1p0 35 atoms Elapsed time: 0 ms *** RECORD no.: 62 read *********************** Name B20647_1p0 32 atoms Elapsed time: 0 ms *** RECORD no.: 63 read *********************** Name B13099_1p0 22 atoms Elapsed time: 0 ms *** RECORD no.: 64 read *********************** Name B18096_1p0 70 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 48-47 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 40-45 ERROR initster(): Resetting a trans double bond in a small ring to cis: 44-43 ERROR initster(): Resetting a trans double bond in a small ring to cis: 42-41 Elapsed time: 10 ms *** RECORD no.: 65 read *********************** Name B16668_1p0 18 atoms Elapsed time: 0 ms *** RECORD no.: 66 read *********************** Name B33056_1p0 44 atoms Elapsed time: 10 ms *** RECORD no.: 67 read *********************** Name B04964_1p0 41 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 Elapsed time: 0 ms *** RECORD no.: 68 read *********************** Name B09201_1p0 77 atoms WARNING initster(): Stereo atom 55 without stereo descriptor WARNING initster(): Stereo atom 58 without stereo descriptor Elapsed time: 10 ms *** RECORD no.: 69 read *********************** Name B09201_2p0 77 atoms WARNING initster(): Stereo atom 31 without stereo descriptor WARNING initster(): Stereo atom 34 without stereo descriptor Elapsed time: 10 ms *** RECORD no.: 70 read *********************** Name B06465_1p0 62 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 71 read *********************** Name B06465_2p0 62 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 36-35 ERROR initster(): Resetting a trans double bond in a small ring to cis: 28-33 ERROR initster(): Resetting a trans double bond in a small ring to cis: 32-31 ERROR initster(): Resetting a trans double bond in a small ring to cis: 30-29 Elapsed time: 10 ms *** RECORD no.: 72 read *********************** Name B09201_3p0 77 atoms WARNING initster(): Stereo atom 8 without stereo descriptor WARNING initster(): Stereo atom 11 without stereo descriptor Elapsed time: 10 ms *** RECORD no.: 73 read *********************** Name B09201_4p0 77 atoms WARNING initster(): Stereo atom 8 without stereo descriptor WARNING initster(): Stereo atom 11 without stereo descriptor Elapsed time: 20 ms *** RECORD no.: 74 read *********************** Name B10204_1p0 43 atoms Elapsed time: 0 ms *** RECORD no.: 75 read *********************** Name B10102_1p0 20 atoms Elapsed time: 0 ms *** RECORD no.: 76 read *********************** Name B138412_1p0 46 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 Elapsed time: 10 ms *** RECORD no.: 77 read *********************** Name B78326_1p0 47 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 19-24 Elapsed time: 0 ms *** RECORD no.: 78 read *********************** Name B78326_2p0 47 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 Elapsed time: 10 ms *** RECORD no.: 79 read *********************** Name B83874_1p0 51 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 80 read *********************** Name B197769_1p0 31 atoms Elapsed time: 0 ms *** RECORD no.: 81 read *********************** Name B83874_2p0 51 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 28-27 ERROR initster(): Resetting a trans double bond in a small ring to cis: 20-25 ERROR initster(): Resetting a trans double bond in a small ring to cis: 24-23 ERROR initster(): Resetting a trans double bond in a small ring to cis: 22-21 Elapsed time: 10 ms *** RECORD no.: 82 read *********************** Name B06127_1p0 21 atoms Elapsed time: 0 ms *** RECORD no.: 83 read *********************** Name B34972_1p0 48 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 ERROR initster(): Resetting a trans double bond in a small ring to cis: 15-14 Elapsed time: 10 ms *** RECORD no.: 84 read *********************** Name B133456_1p0 41 atoms WARNING initster(): Stereo atom 10 without stereo descriptor WARNING initster(): Stereo atom 13 without stereo descriptor Elapsed time: 0 ms *** RECORD no.: 85 read *********************** Name B01251_1p0 46 atoms Elapsed time: 10 ms *** RECORD no.: 86 read *********************** Name B33504_1p0 41 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 21-20 ERROR initster(): Resetting a trans double bond in a small ring to cis: 19-18 Elapsed time: 0 ms *** RECORD no.: 87 read *********************** Name B03898_1p0 29 atoms Elapsed time: 0 ms *** RECORD no.: 88 read *********************** Name B14142_1p0 46 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 Elapsed time: 10 ms *** RECORD no.: 89 read *********************** Name B143479_1p0 39 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 25-24 Elapsed time: 10 ms *** RECORD no.: 90 read *********************** Name B31587_1p0 53 atoms Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 91 in line 8933). *** RECORD no.: 91 read *********************** Name B01140_1p0 45 atoms Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 92 in line 9050). *** RECORD no.: 92 read *********************** Name B01140_2p0 45 atoms Elapsed time: 10 ms *** RECORD no.: 93 read *********************** Name B09288_1p0 32 atoms Elapsed time: 0 ms *** RECORD no.: 94 read *********************** Name B34927_1p0 33 atoms Elapsed time: 0 ms *** RECORD no.: 95 read *********************** Name B02947_1p0 17 atoms Elapsed time: 0 ms *** RECORD no.: 96 read *********************** Name B16729_1p0 44 atoms Elapsed time: 10 ms *** RECORD no.: 97 read *********************** Name B24427_1p0 44 atoms Elapsed time: 10 ms *** RECORD no.: 98 read *********************** Name B10236_1p0 31 atoms Elapsed time: 0 ms *** RECORD no.: 99 read *********************** Name B08133_1p0 22 atoms Elapsed time: 0 ms *** RECORD no.: 100 read *********************** Name B03522_1p0 40 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 101 read *********************** Name B143555_1p0 77 atoms WARNING initster(): Stereo atom 47 without stereo descriptor ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 45-44 Elapsed time: 20 ms *** RECORD no.: 102 read *********************** Name B143555_2p0 77 atoms WARNING initster(): Stereo atom 15 without stereo descriptor ERROR initster(): Resetting a trans double bond in a small ring to cis: 54-53 ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 46-51 ERROR initster(): Resetting a trans double bond in a small ring to cis: 50-49 ERROR initster(): Resetting a trans double bond in a small ring to cis: 48-47 Elapsed time: 10 ms *** RECORD no.: 103 read *********************** Name B02658_1p0 49 atoms Elapsed time: 0 ms *** RECORD no.: 104 read *********************** Name B83847_1p0 48 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 20 ms *** RECORD no.: 105 read *********************** Name B02658_2p0 49 atoms Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 106 in line 10349). *** RECORD no.: 106 read *********************** Name B20752_1p0 28 atoms Elapsed time: 0 ms *** RECORD no.: 107 read *********************** Name B09499_1p0 47 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 108 read *********************** Name B18291_1p0 51 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 15-23 ERROR initster(): Resetting a trans double bond in a small ring to cis: 19-18 Elapsed time: 0 ms *** RECORD no.: 109 read *********************** Name B24404_1p0 53 atoms Elapsed time: 10 ms *** RECORD no.: 110 read *********************** Name B05977_1p0 69 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 51-50 ERROR initster(): Resetting a trans double bond in a small ring to cis: 49-48 ERROR initster(): Resetting a trans double bond in a small ring to cis: 53-52 Elapsed time: 10 ms *** RECORD no.: 111 read *********************** Name B05977_2p0 69 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 24-23 ERROR initster(): Resetting a trans double bond in a small ring to cis: 22-21 ERROR initster(): Resetting a trans double bond in a small ring to cis: 26-25 Elapsed time: 10 ms *** RECORD no.: 112 read *********************** Name B84727_1p0 34 atoms Elapsed time: 0 ms *** RECORD no.: 113 read *********************** Name B32247_1p0 59 atoms Elapsed time: 10 ms *** RECORD no.: 114 read *********************** Name B12137_1p0 38 atoms Elapsed time: 0 ms *** RECORD no.: 115 read *********************** Name B20997_1p0 61 atoms Elapsed time: 10 ms *** RECORD no.: 116 read *********************** Name B20997_2p0 61 atoms Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 117 in line 11579). *** RECORD no.: 117 read *********************** Name B14628_1p0 33 atoms Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 118 in line 11662). *** RECORD no.: 118 read *********************** Name B14628_2p0 33 atoms Elapsed time: 0 ms *** RECORD no.: 119 read *********************** Name B140703_1p0 35 atoms Elapsed time: 10 ms *** RECORD no.: 120 read *********************** Name B76871_1p0 39 atoms Elapsed time: 0 ms *** RECORD no.: 121 read *********************** Name B76346_1p0 36 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 23-28 ERROR initster(): Resetting a trans double bond in a small ring to cis: 27-26 ERROR initster(): Resetting a trans double bond in a small ring to cis: 25-24 Elapsed time: 20 ms *** RECORD no.: 122 read *********************** Name B35207_1p0 46 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 23-22 ERROR initster(): Resetting a trans double bond in a small ring to cis: 15-20 ERROR initster(): Resetting a trans double bond in a small ring to cis: 19-18 ERROR initster(): Resetting a trans double bond in a small ring to cis: 17-16 Elapsed time: 0 ms *** RECORD no.: 123 read *********************** Name B35207_2p0 46 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 124 read *********************** Name B21640_1p0 32 atoms Elapsed time: 0 ms *** RECORD no.: 125 read *********************** Name B06900_1p0 27 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 17-16 ERROR initster(): Resetting a trans double bond in a small ring to cis: 15-14 Elapsed time: 0 ms *** RECORD no.: 126 read *********************** Name B139538_1p0 66 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-16 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 127 in line 12441). ERROR rmdl(): Non-standard element (Record no. 127 in line 12452). *** RECORD no.: 127 read *********************** Name B79304_1p0 48 atoms Elapsed time: 0 ms *** RECORD no.: 128 read *********************** Name B03827_1p0 40 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-16 ERROR initster(): Resetting a trans double bond in a small ring to cis: 15-14 ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 129 in line 12657). ERROR rmdl(): Non-standard element (Record no. 129 in line 12668). *** RECORD no.: 129 read *********************** Name B79304_2p0 48 atoms Elapsed time: 10 ms *** RECORD no.: 130 read *********************** Name B33054_1p0 35 atoms WARNING initster(): Stereo atom 10 without stereo descriptor WARNING initster(): Stereo atom 15 without stereo descriptor Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 131 in line 12824). *** RECORD no.: 131 read *********************** Name B14627_1p0 33 atoms Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 132 in line 12885). *** RECORD no.: 132 read *********************** Name B14627_2p0 33 atoms Elapsed time: 10 ms *** RECORD no.: 133 read *********************** Name B32382_1p0 29 atoms Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 134 in line 13035). ERROR rmdl(): Non-standard element (Record no. 134 in line 13040). *** RECORD no.: 134 read *********************** Name B77913_1p0 34 atoms Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 135 in line 13096). ERROR rmdl(): Non-standard element (Record no. 135 in line 13101). *** RECORD no.: 135 read *********************** Name B77913_2p0 34 atoms Elapsed time: 0 ms *** RECORD no.: 136 read *********************** Name B21483_1p0 40 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-16 ERROR initster(): Resetting a trans double bond in a small ring to cis: 15-14 ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 Elapsed time: 10 ms *** RECORD no.: 137 read *********************** Name B11116_1p0 16 atoms Elapsed time: 0 ms *** RECORD no.: 138 read *********************** Name B19788_1p0 68 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 27-26 ERROR initster(): Resetting a trans double bond in a small ring to cis: 30-29 ERROR initster(): Resetting a trans double bond in a small ring to cis: 28-25 Elapsed time: 10 ms *** RECORD no.: 139 read *********************** Name B40206_1p0 47 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 9-8 Elapsed time: 0 ms *** RECORD no.: 140 read *********************** Name B10585_1p0 40 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 15-14 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 141 read *********************** Name B79964_1p0 31 atoms Elapsed time: 0 ms *** RECORD no.: 142 read *********************** Name B79964_2p0 31 atoms Elapsed time: 10 ms *** RECORD no.: 143 read *********************** Name B79964_3p0 31 atoms Elapsed time: 0 ms *** RECORD no.: 144 read *********************** Name B76474_1p0 36 atoms Elapsed time: 0 ms *** RECORD no.: 145 read *********************** Name B06463_1p0 50 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 23-22 ERROR initster(): Resetting a trans double bond in a small ring to cis: 15-20 ERROR initster(): Resetting a trans double bond in a small ring to cis: 19-18 ERROR initster(): Resetting a trans double bond in a small ring to cis: 17-16 Elapsed time: 10 ms *** RECORD no.: 146 read *********************** Name B144102_1p0 52 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 ERROR initster(): Resetting a trans double bond in a small ring to cis: 21-20 Elapsed time: 10 ms *** RECORD no.: 147 read *********************** Name B83711_1p0 48 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 14-13 Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 148 in line 14265). *** RECORD no.: 148 read *********************** Name B18439_1p0 44 atoms Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 149 in line 14338). *** RECORD no.: 149 read *********************** Name B18439_2p0 44 atoms Elapsed time: 10 ms *** RECORD no.: 150 read *********************** Name B143860_1p0 46 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 Elapsed time: 0 ms *** RECORD no.: 151 read *********************** Name B17717_1p0 63 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 32-37 Elapsed time: 10 ms *** RECORD no.: 152 read *********************** Name B17717_2p0 63 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 Elapsed time: 10 ms *** RECORD no.: 153 read *********************** Name B32452_1p0 25 atoms Elapsed time: 0 ms *** RECORD no.: 154 read *********************** Name B32452_2p0 25 atoms Elapsed time: 0 ms *** RECORD no.: 155 read *********************** Name B32452_3p0 25 atoms Elapsed time: 10 ms *** RECORD no.: 156 read *********************** Name B136505_1p0 62 atoms Elapsed time: 0 ms *** RECORD no.: 157 read *********************** Name B135056_1p0 53 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 40-45 ERROR initster(): Resetting a trans double bond in a small ring to cis: 44-43 ERROR initster(): Resetting a trans double bond in a small ring to cis: 42-41 Elapsed time: 10 ms *** RECORD no.: 158 read *********************** Name B23561_1p0 39 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 Elapsed time: 0 ms *** RECORD no.: 159 read *********************** Name B135056_2p0 53 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 30-29 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 22-27 ERROR initster(): Resetting a trans double bond in a small ring to cis: 26-25 ERROR initster(): Resetting a trans double bond in a small ring to cis: 24-23 Elapsed time: 10 ms *** RECORD no.: 160 read *********************** Name B195537_1p0 48 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 161 read *********************** Name B21821_1p0 49 atoms Elapsed time: 10 ms *** RECORD no.: 162 read *********************** Name B21821_2p0 49 atoms Elapsed time: 0 ms *** RECORD no.: 163 read *********************** Name B05358_1p0 41 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 Elapsed time: 10 ms *** RECORD no.: 164 read *********************** Name B11704_1p0 32 atoms WARNING initster(): Stereo atom 8 without stereo descriptor WARNING initster(): Stereo atom 11 without stereo descriptor Elapsed time: 0 ms *** RECORD no.: 165 read *********************** Name B06496_1p0 45 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 166 in line 15991). *** RECORD no.: 166 read *********************** Name B23694_1p0 49 atoms WARNING initster(): Stereo atom 26 without stereo descriptor WARNING initster(): Stereo atom 29 without stereo descriptor Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 167 in line 16120). *** RECORD no.: 167 read *********************** Name B23694_2p0 49 atoms WARNING initster(): Stereo atom 8 without stereo descriptor WARNING initster(): Stereo atom 11 without stereo descriptor Elapsed time: 10 ms *** RECORD no.: 168 read *********************** Name B32298_1p0 67 atoms Elapsed time: 20 ms *** RECORD no.: 169 read *********************** Name B24439_1p0 27 atoms Elapsed time: 0 ms *** RECORD no.: 170 read *********************** Name B24439_2p0 27 atoms Elapsed time: 10 ms *** RECORD no.: 171 read *********************** Name B24439_3p0 27 atoms Elapsed time: 0 ms *** RECORD no.: 172 read *********************** Name B24439_4p0 27 atoms Elapsed time: 0 ms *** RECORD no.: 173 read *********************** Name B133697_1p0 43 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 174 read *********************** Name B09010_1p0 31 atoms Elapsed time: 0 ms *** RECORD no.: 175 read *********************** Name B144519_1p0 32 atoms Elapsed time: 0 ms *** RECORD no.: 176 read *********************** Name B06710_1p0 53 atoms Elapsed time: 0 ms *** RECORD no.: 177 read *********************** Name B76322_1p0 67 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 40-45 Elapsed time: 20 ms *** RECORD no.: 178 read *********************** Name B17783_1p0 45 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 Elapsed time: 0 ms *** RECORD no.: 179 read *********************** Name B77180_1p0 45 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 180 read *********************** Name B85654_1p0 39 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 181 read *********************** Name B16913_1p0 65 atoms Elapsed time: 10 ms *** RECORD no.: 182 read *********************** Name B16913_2p0 65 atoms Elapsed time: 10 ms *** RECORD no.: 183 read *********************** Name B82630_1p0 43 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 14-13 Elapsed time: 10 ms *** RECORD no.: 184 read *********************** Name B209852_1p0 41 atoms Elapsed time: 0 ms *** RECORD no.: 185 read *********************** Name B81390_1p0 23 atoms Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 186 in line 17872). ERROR rmdl(): Non-standard element (Record no. 186 in line 17883). *** RECORD no.: 186 read *********************** Name B32438_1p0 35 atoms Elapsed time: 10 ms *** RECORD no.: 187 read *********************** Name B86267_1p0 60 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-16 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 Elapsed time: 10 ms *** RECORD no.: 188 read *********************** Name B21321_1p0 20 atoms Elapsed time: 0 ms *** RECORD no.: 189 read *********************** Name B139231_1p0 24 atoms Elapsed time: 0 ms *** RECORD no.: 190 read *********************** Name B133015_1p0 47 atoms WARNING initster(): Stereo atom 8 without stereo descriptor WARNING initster(): Stereo atom 11 without stereo descriptor Elapsed time: 0 ms *** RECORD no.: 191 read *********************** Name B00650_1p0 68 atoms Elapsed time: 10 ms *** RECORD no.: 192 read *********************** Name B17639_1p0 63 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 Elapsed time: 10 ms *** RECORD no.: 193 read *********************** Name B17639_2p0 63 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 32-37 Elapsed time: 10 ms *** RECORD no.: 194 read *********************** Name B33472_1p0 32 atoms Elapsed time: 0 ms *** RECORD no.: 195 read *********************** Name B82188_1p0 21 atoms Elapsed time: 0 ms *** RECORD no.: 196 read *********************** Name B35042_1p0 65 atoms Elapsed time: 10 ms *** RECORD no.: 197 read *********************** Name B35042_2p0 65 atoms Elapsed time: 10 ms *** RECORD no.: 198 read *********************** Name B24409_1p0 41 atoms Elapsed time: 10 ms *** RECORD no.: 199 read *********************** Name B84228_1p0 22 atoms Elapsed time: 0 ms *** RECORD no.: 200 read *********************** Name B04441_1p0 52 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 24-29 Elapsed time: 0 ms *** RECORD no.: 201 read *********************** Name B04913_1p0 46 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-16 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 Elapsed time: 10 ms *** RECORD no.: 202 read *********************** Name B06492_1p0 49 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 203 read *********************** Name B82545_1p0 40 atoms Elapsed time: 0 ms *** RECORD no.: 204 read *********************** Name B02409_1p0 43 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 205 read *********************** Name B135537_1p0 22 atoms Elapsed time: 0 ms *** RECORD no.: 206 read *********************** Name B16911_1p0 64 atoms Elapsed time: 10 ms *** RECORD no.: 207 read *********************** Name B06519_1p0 66 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 208 read *********************** Name B06519_2p0 66 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 40-39 ERROR initster(): Resetting a trans double bond in a small ring to cis: 32-37 ERROR initster(): Resetting a trans double bond in a small ring to cis: 36-35 ERROR initster(): Resetting a trans double bond in a small ring to cis: 34-33 Elapsed time: 10 ms *** RECORD no.: 209 read *********************** Name B16911_2p0 64 atoms Elapsed time: 10 ms *** RECORD no.: 210 read *********************** Name B11444_1p0 63 atoms Elapsed time: 10 ms *** RECORD no.: 211 read *********************** Name B11444_2p0 63 atoms Elapsed time: 10 ms *** RECORD no.: 212 read *********************** Name B05357_1p0 46 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 Elapsed time: 10 ms *** RECORD no.: 213 read *********************** Name B35200_1p0 46 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 Elapsed time: 0 ms *** RECORD no.: 214 read *********************** Name B10173_1p0 55 atoms Elapsed time: 10 ms *** RECORD no.: 215 read *********************** Name B10796_1p0 49 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 216 read *********************** Name B140292_1p0 38 atoms Elapsed time: 0 ms *** RECORD no.: 217 read *********************** Name B83320_1p0 36 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 Elapsed time: 0 ms *** RECORD no.: 218 read *********************** Name B01069_1p0 69 atoms Elapsed time: 10 ms *** RECORD no.: 219 read *********************** Name B143653_1p0 68 atoms Elapsed time: 10 ms *** RECORD no.: 220 read *********************** Name B143653_2p0 68 atoms Elapsed time: 0 ms *** RECORD no.: 221 read *********************** Name B32476_1p0 32 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 21-26 ERROR initster(): Resetting a trans double bond in a small ring to cis: 25-24 ERROR initster(): Resetting a trans double bond in a small ring to cis: 23-22 Elapsed time: 10 ms *** RECORD no.: 222 read *********************** Name B03523_1p0 68 atoms Elapsed time: 10 ms *** RECORD no.: 223 read *********************** Name B16205_1p0 31 atoms Elapsed time: 0 ms *** RECORD no.: 224 read *********************** Name B138400_1p0 40 atoms Elapsed time: 10 ms *** RECORD no.: 225 read *********************** Name B03170_1p0 51 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 33-32 ERROR initster(): Resetting a trans double bond in a small ring to cis: 36-35 ERROR initster(): Resetting a trans double bond in a small ring to cis: 34-31 Elapsed time: 0 ms *** RECORD no.: 226 read *********************** Name B00860_1p0 38 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 Elapsed time: 10 ms *** RECORD no.: 227 read *********************** Name B20467_1p0 66 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 38-43 ERROR initster(): Resetting a trans double bond in a small ring to cis: 40-39 Elapsed time: 10 ms *** RECORD no.: 228 read *********************** Name B20467_2p0 66 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 229 read *********************** Name B16028_1p0 29 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 Elapsed time: 0 ms *** RECORD no.: 230 read *********************** Name B14214_1p0 47 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 231 read *********************** Name B02707_1p0 27 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 Elapsed time: 0 ms *** RECORD no.: 232 read *********************** Name B13234_1p0 67 atoms Elapsed time: 0 ms *** RECORD no.: 233 read *********************** Name B08829_1p0 46 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 234 read *********************** Name B02657_1p0 71 atoms Elapsed time: 10 ms *** RECORD no.: 235 read *********************** Name B15615_1p0 32 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 236 read *********************** Name B81902_1p0 43 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 237 read *********************** Name B78861_1p0 51 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 15-14 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 238 read *********************** Name B05752_1p0 32 atoms Elapsed time: 10 ms *** RECORD no.: 239 read *********************** Name B133689_1p0 42 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 240 read *********************** Name B144520_1p0 35 atoms Elapsed time: 0 ms *** RECORD no.: 241 read *********************** Name B16553_1p0 29 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 242 read *********************** Name B15561_1p0 44 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 ERROR initster(): Resetting a trans double bond in a small ring to cis: 22-21 ERROR initster(): Resetting a trans double bond in a small ring to cis: 20-19 Elapsed time: 0 ms *** RECORD no.: 243 read *********************** Name B12341_1p0 32 atoms Elapsed time: 0 ms *** RECORD no.: 244 read *********************** Name B83839_1p0 49 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 245 read *********************** Name B77733_1p0 53 atoms Elapsed time: 10 ms *** RECORD no.: 246 read *********************** Name B139005_1p0 38 atoms Elapsed time: 0 ms *** RECORD no.: 247 read *********************** Name B14709_1p0 25 atoms Elapsed time: 0 ms *** RECORD no.: 248 read *********************** Name B138789_1p0 50 atoms Elapsed time: 10 ms *** RECORD no.: 249 read *********************** Name B05993_1p0 41 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 24-23 ERROR initster(): Resetting a trans double bond in a small ring to cis: 22-21 ERROR initster(): Resetting a trans double bond in a small ring to cis: 26-25 Elapsed time: 0 ms *** RECORD no.: 250 read *********************** Name B137782_1p0 39 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 251 read *********************** Name B06719_1p0 50 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 252 read *********************** Name B10908_1p0 72 atoms Elapsed time: 20 ms *** RECORD no.: 253 read *********************** Name B16206_1p0 28 atoms Elapsed time: 0 ms *** RECORD no.: 254 read *********************** Name B26036_1p0 47 atoms Elapsed time: 10 ms *** RECORD no.: 255 read *********************** Name B09274_1p0 34 atoms Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 256 in line 24975). *** RECORD no.: 256 read *********************** Name B20753_1p0 33 atoms Elapsed time: 0 ms *** RECORD no.: 257 read *********************** Name B199220_1p0 45 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 Elapsed time: 10 ms *** RECORD no.: 258 read *********************** Name B143564_1p0 58 atoms Elapsed time: 10 ms *** RECORD no.: 259 read *********************** Name B17713_1p0 62 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 31-36 Elapsed time: 0 ms *** RECORD no.: 260 read *********************** Name B03462_1p0 42 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 15-14 ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 Elapsed time: 10 ms *** RECORD no.: 261 read *********************** Name B82864_1p0 75 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 52-51 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 44-49 ERROR initster(): Resetting a trans double bond in a small ring to cis: 48-47 ERROR initster(): Resetting a trans double bond in a small ring to cis: 46-45 Elapsed time: 10 ms *** RECORD no.: 262 read *********************** Name B140903_1p0 23 atoms Elapsed time: 0 ms *** RECORD no.: 263 read *********************** Name B140903_2p0 23 atoms Elapsed time: 0 ms *** RECORD no.: 264 read *********************** Name B88055_1p0 48 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-16 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 Elapsed time: 0 ms *** RECORD no.: 265 read *********************** Name B140903_3p0 23 atoms Elapsed time: 0 ms *** RECORD no.: 266 read *********************** Name B140903_4p0 23 atoms Elapsed time: 0 ms *** RECORD no.: 267 read *********************** Name B21328_1p0 34 atoms Elapsed time: 10 ms *** RECORD no.: 268 read *********************** Name B76417_1p0 35 atoms Elapsed time: 0 ms *** RECORD no.: 269 read *********************** Name B16871_1p0 32 atoms Elapsed time: 0 ms *** RECORD no.: 270 read *********************** Name B01655_1p0 51 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 25-24 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 271 read *********************** Name B22588_1p0 64 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 Elapsed time: 10 ms *** RECORD no.: 272 read *********************** Name B21710_1p0 31 atoms Elapsed time: 0 ms *** RECORD no.: 273 read *********************** Name B21710_2p0 31 atoms Elapsed time: 0 ms *** RECORD no.: 274 read *********************** Name B05443_1p0 31 atoms Elapsed time: 10 ms *** RECORD no.: 275 read *********************** Name B80224_1p0 71 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 40-44 ERROR initster(): Resetting a trans double bond in a small ring to cis: 43-42 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 276 read *********************** Name B80224_2p0 71 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 ERROR initster(): Resetting a trans double bond in a small ring to cis: 48-47 ERROR initster(): Resetting a trans double bond in a small ring to cis: 40-45 ERROR initster(): Resetting a trans double bond in a small ring to cis: 44-43 ERROR initster(): Resetting a trans double bond in a small ring to cis: 42-41 Elapsed time: 10 ms *** RECORD no.: 277 read *********************** Name B85517_1p0 51 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-16 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 Elapsed time: 10 ms *** RECORD no.: 278 read *********************** Name B85045_1p0 75 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 50-49 ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 42-47 ERROR initster(): Resetting a trans double bond in a small ring to cis: 46-45 ERROR initster(): Resetting a trans double bond in a small ring to cis: 44-43 Elapsed time: 10 ms *** RECORD no.: 279 read *********************** Name B05773_1p0 39 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 ERROR initster(): Resetting a trans double bond in a small ring to cis: 9-8 Elapsed time: 0 ms *** RECORD no.: 280 read *********************** Name B14507_1p0 40 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 281 read *********************** Name B18758_1p0 33 atoms Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 282 in line 27463). *** RECORD no.: 282 read *********************** Name B20866_1p0 15 atoms Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 283 in line 27499). *** RECORD no.: 283 read *********************** Name B19540_1p0 29 atoms Elapsed time: 10 ms *** RECORD no.: 284 read *********************** Name B82510_1p0 38 atoms Elapsed time: 0 ms *** RECORD no.: 285 read *********************** Name B134587_1p0 62 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 36-35 ERROR initster(): Resetting a trans double bond in a small ring to cis: 28-33 ERROR initster(): Resetting a trans double bond in a small ring to cis: 32-31 ERROR initster(): Resetting a trans double bond in a small ring to cis: 30-29 Elapsed time: 10 ms *** RECORD no.: 286 read *********************** Name B00334_1p0 31 atoms Elapsed time: 0 ms *** RECORD no.: 287 read *********************** Name B134587_2p0 62 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 288 read *********************** Name B138687_1p0 43 atoms Elapsed time: 10 ms *** RECORD no.: 289 read *********************** Name B15543_1p0 41 atoms Elapsed time: 0 ms *** RECORD no.: 290 read *********************** Name B06854_1p0 35 atoms Elapsed time: 0 ms *** RECORD no.: 291 read *********************** Name B79121_1p0 25 atoms WARNING initster(): Stereo atom 15 without stereo descriptor ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 292 read *********************** Name B16547_1p0 31 atoms Elapsed time: 10 ms *** RECORD no.: 293 read *********************** Name B16547_2p0 31 atoms Elapsed time: 0 ms *** RECORD no.: 294 read *********************** Name B21455_1p0 20 atoms Elapsed time: 10 ms *** RECORD no.: 295 read *********************** Name B24942_1p0 33 atoms Elapsed time: 0 ms *** RECORD no.: 296 read *********************** Name B80342_1p0 53 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 297 read *********************** Name B80342_2p0 53 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 38-43 ERROR initster(): Resetting a trans double bond in a small ring to cis: 42-41 ERROR initster(): Resetting a trans double bond in a small ring to cis: 40-39 Elapsed time: 10 ms *** RECORD no.: 298 read *********************** Name B03805_1p0 20 atoms Elapsed time: 0 ms *** RECORD no.: 299 read *********************** Name B02373_1p0 70 atoms Elapsed time: 10 ms *** RECORD no.: 300 read *********************** Name B01250_1p0 31 atoms Elapsed time: 0 ms *** RECORD no.: 301 read *********************** Name B40162_1p0 46 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 9-8 Elapsed time: 10 ms *** RECORD no.: 302 read *********************** Name B02373_2p0 70 atoms Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 303 in line 29290). ERROR rmdl(): Non-standard element (Record no. 303 in line 29330). ERROR rmdl(): Non-standard element (Record no. 303 in line 29332). *** RECORD no.: 303 read *********************** Name B10149_1p0 70 atoms Elapsed time: 10 ms *** RECORD no.: 304 read *********************** Name B10579_1p0 48 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 15-14 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 305 read *********************** Name B05982_1p0 40 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 306 read *********************** Name B19774_1p0 49 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 307 read *********************** Name B143108_1p0 44 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 24-23 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 308 read *********************** Name B32453_1p0 25 atoms Elapsed time: 10 ms *** RECORD no.: 309 read *********************** Name B05312_1p0 36 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 Elapsed time: 0 ms *** RECORD no.: 310 read *********************** Name B04086_1p0 41 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 25-24 Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 311 in line 30076). ERROR rmdl(): Non-standard element (Record no. 311 in line 30086). *** RECORD no.: 311 read *********************** Name B18409_1p0 40 atoms Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 312 in line 30151). ERROR rmdl(): Non-standard element (Record no. 312 in line 30161). *** RECORD no.: 312 read *********************** Name B18409_2p0 40 atoms Elapsed time: 0 ms *** RECORD no.: 313 read *********************** Name B35259_1p0 45 atoms Elapsed time: 10 ms *** RECORD no.: 314 read *********************** Name B81723_1p0 63 atoms Elapsed time: 10 ms *** RECORD no.: 315 read *********************** Name B00351_1p0 44 atoms Elapsed time: 0 ms *** RECORD no.: 316 read *********************** Name B00351_2p0 44 atoms Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 317 in line 30654). *** RECORD no.: 317 read *********************** Name B21214_1p0 46 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 14-22 ERROR initster(): Resetting a trans double bond in a small ring to cis: 18-17 Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 318 in line 30788). *** RECORD no.: 318 read *********************** Name B21214_2p0 46 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-16 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 Elapsed time: 10 ms *** RECORD no.: 319 read *********************** Name B14492_1p0 41 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 320 read *********************** Name B11202_1p0 24 atoms Elapsed time: 0 ms *** RECORD no.: 321 read *********************** Name B02406_1p0 30 atoms Elapsed time: 10 ms *** RECORD no.: 322 read *********************** Name B24508_1p0 63 atoms Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 323 in line 31198). *** RECORD no.: 323 read *********************** Name B22887_1p0 54 atoms Elapsed time: 10 ms *** RECORD no.: 324 read *********************** Name B09768_1p0 37 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 325 read *********************** Name B09768_2p0 37 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-21 ERROR initster(): Resetting a trans double bond in a small ring to cis: 20-19 ERROR initster(): Resetting a trans double bond in a small ring to cis: 18-17 Elapsed time: 0 ms *** RECORD no.: 326 read *********************** Name B09768_3p0 37 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 24-29 ERROR initster(): Resetting a trans double bond in a small ring to cis: 28-27 ERROR initster(): Resetting a trans double bond in a small ring to cis: 26-25 Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 327 in line 31555). ERROR rmdl(): Non-standard element (Record no. 327 in line 31595). ERROR rmdl(): Non-standard element (Record no. 327 in line 31597). *** RECORD no.: 327 read *********************** Name B79600_1p0 67 atoms Elapsed time: 0 ms *** RECORD no.: 328 read *********************** Name B04887_1p0 39 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 329 read *********************** Name B14621_1p0 37 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 330 read *********************** Name B33051_1p0 35 atoms Elapsed time: 10 ms *** RECORD no.: 331 read *********************** Name B87333_1p0 73 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 50-49 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 42-47 ERROR initster(): Resetting a trans double bond in a small ring to cis: 46-45 ERROR initster(): Resetting a trans double bond in a small ring to cis: 44-43 Elapsed time: 10 ms *** RECORD no.: 332 read *********************** Name B05757_1p0 33 atoms Elapsed time: 0 ms *** RECORD no.: 333 read *********************** Name B40519_1p0 43 atoms Elapsed time: 0 ms *** RECORD no.: 334 read *********************** Name B40519_2p0 43 atoms Elapsed time: 0 ms *** RECORD no.: 335 read *********************** Name B40519_3p0 43 atoms Elapsed time: 0 ms *** RECORD no.: 336 read *********************** Name B84081_1p0 67 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 40-45 ERROR initster(): Resetting a trans double bond in a small ring to cis: 44-43 ERROR initster(): Resetting a trans double bond in a small ring to cis: 42-41 Elapsed time: 10 ms *** RECORD no.: 337 read *********************** Name B84081_2p0 67 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 44-43 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 36-41 ERROR initster(): Resetting a trans double bond in a small ring to cis: 40-39 ERROR initster(): Resetting a trans double bond in a small ring to cis: 38-37 Elapsed time: 30 ms *** RECORD no.: 338 read *********************** Name B21697_1p0 22 atoms Elapsed time: 0 ms *** RECORD no.: 339 read *********************** Name B145800_1p0 41 atoms Elapsed time: 0 ms *** RECORD no.: 340 read *********************** Name B19792_1p0 45 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 341 read *********************** Name B20944_1p0 22 atoms Elapsed time: 0 ms *** RECORD no.: 342 read *********************** Name B17143_1p0 39 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 ERROR initster(): Resetting a trans double bond in a small ring to cis: 9-8 Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 343 in line 33113). *** RECORD no.: 343 read *********************** Name B00891_1p0 27 atoms Elapsed time: 10 ms *** RECORD no.: 344 read *********************** Name B07084_1p0 49 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 345 read *********************** Name B23977_1p0 64 atoms Elapsed time: 10 ms *** RECORD no.: 346 read *********************** Name B23977_2p0 64 atoms Elapsed time: 10 ms *** RECORD no.: 347 read *********************** Name B211103_1p0 43 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 ERROR initster(): Resetting a trans double bond in a small ring to cis: 15-14 Elapsed time: 10 ms *** RECORD no.: 348 read *********************** Name B76423_1p0 39 atoms Elapsed time: 0 ms *** RECORD no.: 349 read *********************** Name B81110_1p0 68 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 39-44 ERROR initster(): Resetting a trans double bond in a small ring to cis: 43-42 ERROR initster(): Resetting a trans double bond in a small ring to cis: 41-40 Elapsed time: 10 ms *** RECORD no.: 350 read *********************** Name B81110_2p0 68 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 351 read *********************** Name B197355_1p0 57 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 ERROR initster(): Resetting a trans double bond in a small ring to cis: 32-31 Elapsed time: 10 ms *** RECORD no.: 352 read *********************** Name B01659_1p0 39 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 Elapsed time: 10 ms *** RECORD no.: 353 read *********************** Name B14656_1p0 30 atoms Elapsed time: 0 ms *** RECORD no.: 354 read *********************** Name B14656_2p0 30 atoms Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 355 in line 34363). ERROR rmdl(): Non-standard element (Record no. 355 in line 34374). *** RECORD no.: 355 read *********************** Name B02090_1p0 46 atoms Elapsed time: 10 ms *** RECORD no.: 356 read *********************** Name B05983_1p0 48 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 357 read *********************** Name B06430_1p0 42 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 20-19 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-17 ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 14-13 Elapsed time: 10 ms *** RECORD no.: 358 read *********************** Name B18596_1p0 41 atoms Elapsed time: 10 ms *** RECORD no.: 359 read *********************** Name B06514_1p0 75 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 52-51 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 44-49 ERROR initster(): Resetting a trans double bond in a small ring to cis: 48-47 ERROR initster(): Resetting a trans double bond in a small ring to cis: 46-45 Elapsed time: 10 ms *** RECORD no.: 360 read *********************** Name B06514_2p0 75 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 40-45 ERROR initster(): Resetting a trans double bond in a small ring to cis: 44-43 ERROR initster(): Resetting a trans double bond in a small ring to cis: 42-41 Elapsed time: 20 ms *** RECORD no.: 361 read *********************** Name B14622_1p0 23 atoms Elapsed time: 0 ms *** RECORD no.: 362 read *********************** Name B14622_2p0 23 atoms Elapsed time: 0 ms *** RECORD no.: 363 read *********************** Name B14622_3p0 23 atoms Elapsed time: 0 ms *** RECORD no.: 364 read *********************** Name B21558_1p0 26 atoms Elapsed time: 0 ms *** RECORD no.: 365 read *********************** Name B136439_1p0 75 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 48-47 ERROR initster(): Resetting a trans double bond in a small ring to cis: 46-45 Elapsed time: 10 ms *** RECORD no.: 366 read *********************** Name B136439_2p0 75 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 49-48 ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 ERROR initster(): Resetting a trans double bond in a small ring to cis: 41-46 ERROR initster(): Resetting a trans double bond in a small ring to cis: 45-44 ERROR initster(): Resetting a trans double bond in a small ring to cis: 43-42 Elapsed time: 10 ms *** RECORD no.: 367 read *********************** Name B87716_1p0 54 atoms Elapsed time: 10 ms *** RECORD no.: 368 read *********************** Name B87716_2p0 54 atoms WARNING rrefine(): 1 pair(s) of crowded atoms Elapsed time: 10 ms *** RECORD no.: 369 read *********************** Name B11683_1p0 43 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 370 read *********************** Name B143407_1p0 73 atoms Elapsed time: 10 ms *** RECORD no.: 371 read *********************** Name B133695_1p0 41 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 372 read *********************** Name B137235_1p0 64 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 Elapsed time: 20 ms *** RECORD no.: 373 read *********************** Name B137235_2p0 64 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 33-38 Elapsed time: 10 ms *** RECORD no.: 374 read *********************** Name B15389_1p0 49 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 22-21 ERROR initster(): Resetting a trans double bond in a small ring to cis: 20-19 ERROR initster(): Resetting a trans double bond in a small ring to cis: 33-32 ERROR initster(): Resetting a trans double bond in a small ring to cis: 31-30 Elapsed time: 0 ms *** RECORD no.: 375 read *********************** Name B79039_1p0 73 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 50-49 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 42-47 ERROR initster(): Resetting a trans double bond in a small ring to cis: 46-45 ERROR initster(): Resetting a trans double bond in a small ring to cis: 44-43 Elapsed time: 20 ms *** RECORD no.: 376 read *********************** Name B06409_1p0 49 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 377 read *********************** Name B139251_1p0 62 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 15-14 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 20-19 ERROR initster(): Resetting a trans double bond in a small ring to cis: 39-38 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 31-36 ERROR initster(): Resetting a trans double bond in a small ring to cis: 35-34 ERROR initster(): Resetting a trans double bond in a small ring to cis: 33-32 Elapsed time: 10 ms *** RECORD no.: 378 read *********************** Name B139251_2p0 62 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 52-51 ERROR initster(): Resetting a trans double bond in a small ring to cis: 47-46 ERROR initster(): Resetting a trans double bond in a small ring to cis: 44-43 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 40-45 ERROR initster(): Resetting a trans double bond in a small ring to cis: 42-41 Elapsed time: 10 ms *** RECORD no.: 379 read *********************** Name B06453_1p0 48 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 380 read *********************** Name B19084_1p0 19 atoms Elapsed time: 0 ms *** RECORD no.: 381 read *********************** Name B23923_1p0 36 atoms Elapsed time: 0 ms *** RECORD no.: 382 read *********************** Name B87375_1p0 21 atoms Elapsed time: 0 ms *** RECORD no.: 383 read *********************** Name B08070_1p0 41 atoms ERROR allcis(): No suited stereo descriptors for bridge 10- -13 (half-defined) 10-9-13 ERROR gen3d(): Unable to build a 3D structure Dumping original record into error file Elapsed time: 0 ms *** RECORD no.: 384 read *********************** Name B142599_1p0 41 atoms Elapsed time: 0 ms *** RECORD no.: 385 read *********************** Name B09201_5p0 77 atoms WARNING initster(): Stereo atom 32 without stereo descriptor WARNING initster(): Stereo atom 35 without stereo descriptor Elapsed time: 20 ms *** RECORD no.: 386 read *********************** Name B09201_6p0 77 atoms WARNING initster(): Stereo atom 55 without stereo descriptor WARNING initster(): Stereo atom 58 without stereo descriptor Elapsed time: 10 ms *** RECORD no.: 387 read *********************** Name B09628_1p0 36 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 Elapsed time: 0 ms *** RECORD no.: 388 read *********************** Name B136360_1p0 64 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 Elapsed time: 10 ms *** RECORD no.: 389 read *********************** Name B15629_1p0 47 atoms WARNING initster(): Stereo atom 8 without stereo descriptor WARNING initster(): Stereo atom 11 without stereo descriptor Elapsed time: 0 ms *** RECORD no.: 390 read *********************** Name B08372_1p0 61 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 20 ms *** RECORD no.: 391 read *********************** Name B08372_2p0 61 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 32-37 ERROR initster(): Resetting a trans double bond in a small ring to cis: 34-33 Elapsed time: 20 ms *** RECORD no.: 392 read *********************** Name B10614_1p0 35 atoms Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 393 in line 38534). *** RECORD no.: 393 read *********************** Name B00898_1p0 31 atoms Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 394 in line 38591). *** RECORD no.: 394 read *********************** Name B00898_2p0 31 atoms Elapsed time: 10 ms *** RECORD no.: 395 read *********************** Name B137771_1p0 39 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 9-8 Elapsed time: 0 ms *** RECORD no.: 396 read *********************** Name B144029_1p0 53 atoms Elapsed time: 10 ms *** RECORD no.: 397 read *********************** Name B16709_1p0 73 atoms Elapsed time: 0 ms *** RECORD no.: 398 read *********************** Name B02030_1p0 43 atoms Elapsed time: 10 ms *** RECORD no.: 399 read *********************** Name B137236_1p0 62 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 Elapsed time: 10 ms *** RECORD no.: 400 read *********************** Name B137236_2p0 62 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 31-36 Elapsed time: 0 ms *** RECORD no.: 401 read *********************** Name B17928_1p0 29 atoms Elapsed time: 10 ms *** RECORD no.: 402 read *********************** Name B05353_1p0 37 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 403 in line 39538). *** RECORD no.: 403 read *********************** Name B18434_1p0 44 atoms Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 404 in line 39611). *** RECORD no.: 404 read *********************** Name B18434_2p0 44 atoms Elapsed time: 0 ms *** RECORD no.: 405 read *********************** Name B143589_1p0 34 atoms Elapsed time: 10 ms *** RECORD no.: 406 read *********************** Name B03180_1p0 37 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 Elapsed time: 0 ms *** RECORD no.: 407 read *********************** Name B87018_1p0 74 atoms Elapsed time: 10 ms *** RECORD no.: 408 read *********************** Name B87018_2p0 74 atoms Elapsed time: 10 ms *** RECORD no.: 409 read *********************** Name B09021_1p0 22 atoms Elapsed time: 0 ms *** RECORD no.: 410 read *********************** Name B03439_1p0 28 atoms Elapsed time: 0 ms *** RECORD no.: 411 read *********************** Name B13621_1p0 38 atoms Elapsed time: 0 ms *** RECORD no.: 412 read *********************** Name B33955_1p0 32 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 413 read *********************** Name B80890_1p0 64 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 414 read *********************** Name B80890_2p0 64 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 32-37 ERROR initster(): Resetting a trans double bond in a small ring to cis: 34-33 Elapsed time: 0 ms *** RECORD no.: 415 read *********************** Name B82517_1p0 48 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 416 read *********************** Name B05261_1p0 41 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 Elapsed time: 10 ms *** RECORD no.: 417 read *********************** Name B07091_1p0 48 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 418 read *********************** Name B08363_1p0 61 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 20 ms *** RECORD no.: 419 read *********************** Name B08363_2p0 61 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 32-37 ERROR initster(): Resetting a trans double bond in a small ring to cis: 34-33 Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 420 in line 41280). ERROR rmdl(): Non-standard element (Record no. 420 in line 41289). *** RECORD no.: 420 read *********************** Name B79310_1p0 37 atoms Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 421 in line 41393). ERROR rmdl(): Non-standard element (Record no. 421 in line 41411). *** RECORD no.: 421 read *********************** Name B10808_1p0 72 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-16 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 Elapsed time: 20 ms ERROR rmdl(): Non-standard element (Record no. 422 in line 41514). ERROR rmdl(): Non-standard element (Record no. 422 in line 41532). *** RECORD no.: 422 read *********************** Name B10808_2p0 72 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 40-48 ERROR initster(): Resetting a trans double bond in a small ring to cis: 44-43 Elapsed time: 10 ms *** RECORD no.: 423 read *********************** Name B06446_1p0 40 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 424 read *********************** Name B17202_1p0 52 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 38-43 ERROR initster(): Resetting a trans double bond in a small ring to cis: 42-41 ERROR initster(): Resetting a trans double bond in a small ring to cis: 40-39 Elapsed time: 10 ms *** RECORD no.: 425 read *********************** Name B17202_2p0 52 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 426 read *********************** Name B11831_1p0 25 atoms Elapsed time: 0 ms *** RECORD no.: 427 read *********************** Name B06714_1p0 50 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 428 read *********************** Name B11168_1p0 41 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-16 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 Elapsed time: 10 ms *** RECORD no.: 429 read *********************** Name B19584_1p0 38 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 430 read *********************** Name B09601_1p0 62 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 Elapsed time: 10 ms *** RECORD no.: 431 read *********************** Name B09601_2p0 62 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 32-37 Elapsed time: 10 ms *** RECORD no.: 432 read *********************** Name B139213_1p0 32 atoms Elapsed time: 0 ms *** RECORD no.: 433 read *********************** Name B06412_1p0 50 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 434 read *********************** Name B16589_1p0 41 atoms Elapsed time: 10 ms *** RECORD no.: 435 read *********************** Name B16589_2p0 41 atoms Elapsed time: 0 ms *** RECORD no.: 436 read *********************** Name B19875_1p0 43 atoms Elapsed time: 10 ms *** RECORD no.: 437 read *********************** Name B133014_1p0 41 atoms Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 438 in line 43129). ERROR rmdl(): Non-standard element (Record no. 438 in line 43140). *** RECORD no.: 438 read *********************** Name B79305_1p0 30 atoms Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 439 in line 43202). ERROR rmdl(): Non-standard element (Record no. 439 in line 43213). *** RECORD no.: 439 read *********************** Name B79305_2p0 30 atoms Elapsed time: 0 ms *** RECORD no.: 440 read *********************** Name B86045_1p0 32 atoms Elapsed time: 0 ms *** RECORD no.: 441 read *********************** Name B86798_1p0 37 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 442 read *********************** Name B86798_2p0 37 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-21 ERROR initster(): Resetting a trans double bond in a small ring to cis: 20-19 ERROR initster(): Resetting a trans double bond in a small ring to cis: 18-17 Elapsed time: 10 ms *** RECORD no.: 443 read *********************** Name B86798_3p0 37 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 24-29 ERROR initster(): Resetting a trans double bond in a small ring to cis: 28-27 ERROR initster(): Resetting a trans double bond in a small ring to cis: 26-25 Elapsed time: 0 ms *** RECORD no.: 444 read *********************** Name B17628_1p0 62 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 Elapsed time: 10 ms *** RECORD no.: 445 read *********************** Name B17628_2p0 62 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 34-39 Elapsed time: 10 ms *** RECORD no.: 446 read *********************** Name B14493_1p0 42 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 447 read *********************** Name B13760_1p0 28 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-16 ERROR initster(): Resetting a trans double bond in a small ring to cis: 15-14 ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 Elapsed time: 0 ms *** RECORD no.: 448 read *********************** Name B13760_2p0 28 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 14-19 ERROR initster(): Resetting a trans double bond in a small ring to cis: 18-17 ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 Elapsed time: 10 ms *** RECORD no.: 449 read *********************** Name B13760_3p0 28 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 450 read *********************** Name B32877_1p0 35 atoms Elapsed time: 10 ms *** RECORD no.: 451 read *********************** Name B18476_1p0 22 atoms Elapsed time: 0 ms *** RECORD no.: 452 read *********************** Name B09518_1p0 43 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 453 read *********************** Name B18773_1p0 34 atoms Elapsed time: 0 ms *** RECORD no.: 454 read *********************** Name B19488_1p0 61 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 Elapsed time: 10 ms *** RECORD no.: 455 read *********************** Name B19488_2p0 61 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 28-33 Elapsed time: 10 ms *** RECORD no.: 456 read *********************** Name B23787_1p0 23 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 457 read *********************** Name B01230_1p0 69 atoms Elapsed time: 10 ms *** RECORD no.: 458 read *********************** Name B09596_1p0 47 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 459 read *********************** Name B15535_1p0 60 atoms WARNING initster(): Stereo atom 37 without stereo descriptor WARNING initster(): Stereo atom 40 without stereo descriptor Elapsed time: 10 ms *** RECORD no.: 460 read *********************** Name B16212_1p0 40 atoms Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 461 in line 45196). *** RECORD no.: 461 read *********************** Name B06663_1p0 20 atoms Elapsed time: 0 ms *** RECORD no.: 462 read *********************** Name B17772_1p0 37 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 Elapsed time: 0 ms *** RECORD no.: 463 read *********************** Name B15535_2p0 60 atoms WARNING initster(): Stereo atom 8 without stereo descriptor WARNING initster(): Stereo atom 11 without stereo descriptor Elapsed time: 10 ms *** RECORD no.: 464 read *********************** Name B15119_1p0 52 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 38-43 ERROR initster(): Resetting a trans double bond in a small ring to cis: 42-41 ERROR initster(): Resetting a trans double bond in a small ring to cis: 40-39 Elapsed time: 0 ms *** RECORD no.: 465 read *********************** Name B15119_2p0 52 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 466 read *********************** Name B20026_1p0 67 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 40-45 Elapsed time: 10 ms *** RECORD no.: 467 read *********************** Name B20026_2p0 67 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 44-43 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 36-41 ERROR initster(): Resetting a trans double bond in a small ring to cis: 40-39 ERROR initster(): Resetting a trans double bond in a small ring to cis: 38-37 Elapsed time: 10 ms *** RECORD no.: 468 read *********************** Name B10210_1p0 65 atoms Elapsed time: 10 ms *** RECORD no.: 469 read *********************** Name B10210_2p0 65 atoms Elapsed time: 10 ms *** RECORD no.: 470 read *********************** Name B22405_1p0 53 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 26-25 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 471 read *********************** Name B81937_1p0 43 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 472 read *********************** Name B21113_1p0 32 atoms Elapsed time: 0 ms *** RECORD no.: 473 read *********************** Name B34699_1p0 43 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 ERROR initster(): Resetting a trans double bond in a small ring to cis: 22-21 ERROR initster(): Resetting a trans double bond in a small ring to cis: 20-19 Elapsed time: 10 ms *** RECORD no.: 474 read *********************** Name B01629_1p0 43 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 475 read *********************** Name B13216_1p0 25 atoms Elapsed time: 0 ms *** RECORD no.: 476 read *********************** Name B02823_1p0 73 atoms Elapsed time: 10 ms *** RECORD no.: 477 read *********************** Name B15628_1p0 71 atoms Elapsed time: 0 ms *** RECORD no.: 478 read *********************** Name B76413_1p0 35 atoms Elapsed time: 10 ms *** RECORD no.: 479 read *********************** Name B25121_1p0 24 atoms Elapsed time: 0 ms *** RECORD no.: 480 read *********************** Name B31081_1p0 48 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 481 read *********************** Name B133088_1p0 62 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 Elapsed time: 10 ms *** RECORD no.: 482 read *********************** Name B133088_2p0 62 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 31-36 Elapsed time: 10 ms *** RECORD no.: 483 read *********************** Name B27874_1p0 63 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 Elapsed time: 10 ms *** RECORD no.: 484 read *********************** Name B17709_1p0 59 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 28-33 Elapsed time: 10 ms *** RECORD no.: 485 read *********************** Name B139138_1p0 66 atoms Elapsed time: 10 ms *** RECORD no.: 486 read *********************** Name B139138_2p0 66 atoms Elapsed time: 0 ms *** RECORD no.: 487 read *********************** Name B10205_1p0 62 atoms Elapsed time: 10 ms *** RECORD no.: 488 read *********************** Name B05763_1p0 41 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-16 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 Elapsed time: 10 ms *** RECORD no.: 489 read *********************** Name B06406_1p0 46 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 490 read *********************** Name B14501_1p0 74 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 52-51 ERROR initster(): Resetting a trans double bond in a small ring to cis: 47-46 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 45-44 Elapsed time: 20 ms *** RECORD no.: 491 read *********************** Name B14501_2p0 74 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 ERROR initster(): Resetting a trans double bond in a small ring to cis: 9-8 ERROR initster(): Resetting a trans double bond in a small ring to cis: 39-44 ERROR initster(): Resetting a trans double bond in a small ring to cis: 43-42 ERROR initster(): Resetting a trans double bond in a small ring to cis: 41-40 Elapsed time: 10 ms *** RECORD no.: 492 read *********************** Name B40158_1p0 27 atoms Elapsed time: 0 ms *** RECORD no.: 493 read *********************** Name B137607_1p0 36 atoms Elapsed time: 10 ms *** RECORD no.: 494 read *********************** Name B12470_1p0 28 atoms Elapsed time: 0 ms *** RECORD no.: 495 read *********************** Name B05650_1p0 54 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 18-17 ERROR initster(): Resetting a trans double bond in a small ring to cis: 15-14 ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 Elapsed time: 10 ms *** RECORD no.: 496 read *********************** Name B01989_1p0 60 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 43-42 ERROR initster(): Resetting a trans double bond in a small ring to cis: 41-40 Elapsed time: 0 ms *** RECORD no.: 497 read *********************** Name B01989_2p0 60 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 14-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 32-37 Elapsed time: 10 ms *** RECORD no.: 498 read *********************** Name B22805_1p0 21 atoms Elapsed time: 0 ms *** RECORD no.: 499 read *********************** Name B31217_1p0 48 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 ERROR initster(): Resetting a trans double bond in a small ring to cis: 15-14 Elapsed time: 10 ms *** RECORD no.: 500 read *********************** Name B83834_1p0 43 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 501 read *********************** Name B05628_1p0 38 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 502 read *********************** Name B86573_1p0 18 atoms Elapsed time: 0 ms *** RECORD no.: 503 read *********************** Name B01773_1p0 46 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 504 read *********************** Name B196527_1p0 30 atoms Elapsed time: 0 ms *** RECORD no.: 505 read *********************** Name B78389_1p0 53 atoms Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 506 in line 50000). ERROR rmdl(): Non-standard element (Record no. 506 in line 50011). *** RECORD no.: 506 read *********************** Name B33130_1p0 38 atoms Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 507 in line 50069). ERROR rmdl(): Non-standard element (Record no. 507 in line 50080). *** RECORD no.: 507 read *********************** Name B33130_2p0 38 atoms Elapsed time: 0 ms *** RECORD no.: 508 read *********************** Name B00933_1p0 73 atoms Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 509 in line 50304). *** RECORD no.: 509 read *********************** Name B13399_1p0 32 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 15-14 ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 Elapsed time: 0 ms *** RECORD no.: 510 read *********************** Name B142961_1p0 28 atoms Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 511 in line 50458). *** RECORD no.: 511 read *********************** Name B00897_1p0 44 atoms Elapsed time: 0 ms ERROR rmdl(): Non-standard element (Record no. 512 in line 50531). *** RECORD no.: 512 read *********************** Name B00897_2p0 44 atoms Elapsed time: 10 ms *** RECORD no.: 513 read *********************** Name B143203_1p0 26 atoms Elapsed time: 0 ms *** RECORD no.: 514 read *********************** Name B19214_1p0 73 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 40-45 ERROR initster(): Resetting a trans double bond in a small ring to cis: 44-43 ERROR initster(): Resetting a trans double bond in a small ring to cis: 42-41 Elapsed time: 20 ms *** RECORD no.: 515 read *********************** Name B19214_2p0 73 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 50-49 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 ERROR initster(): Resetting a trans double bond in a small ring to cis: 42-47 ERROR initster(): Resetting a trans double bond in a small ring to cis: 46-45 ERROR initster(): Resetting a trans double bond in a small ring to cis: 44-43 Elapsed time: 10 ms *** RECORD no.: 516 read *********************** Name B15546_1p0 60 atoms WARNING initster(): Stereo atom 8 without stereo descriptor WARNING initster(): Stereo atom 11 without stereo descriptor Elapsed time: 0 ms *** RECORD no.: 517 read *********************** Name B15546_2p0 60 atoms WARNING initster(): Stereo atom 37 without stereo descriptor WARNING initster(): Stereo atom 40 without stereo descriptor Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 518 in line 51252). ERROR rmdl(): Non-standard element (Record no. 518 in line 51255). *** RECORD no.: 518 read *********************** Name B22585_1p0 20 atoms Elapsed time: 0 ms *** RECORD no.: 519 read *********************** Name B23255_1p0 52 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 9-8 ERROR initster(): Resetting a trans double bond in a small ring to cis: 15-14 ERROR initster(): Resetting a trans double bond in a small ring to cis: 13-12 Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 520 in line 51411). ERROR rmdl(): Non-standard element (Record no. 520 in line 51421). *** RECORD no.: 520 read *********************** Name B22585_2p0 20 atoms Elapsed time: 10 ms *** RECORD no.: 521 read *********************** Name B06067_1p0 48 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-16 ERROR initster(): Resetting a trans double bond in a small ring to cis: 14-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 Elapsed time: 0 ms *** RECORD no.: 522 read *********************** Name B04885_1p0 38 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 523 in line 51677). ERROR rmdl(): Non-standard element (Record no. 523 in line 51695). *** RECORD no.: 523 read *********************** Name B16906_1p0 70 atoms Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 524 in line 51795). ERROR rmdl(): Non-standard element (Record no. 524 in line 51813). *** RECORD no.: 524 read *********************** Name B16906_2p0 70 atoms Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 525 in line 51944). *** RECORD no.: 525 read *********************** Name B23645_1p0 29 atoms Elapsed time: 0 ms *** RECORD no.: 526 read *********************** Name B12777_1p0 34 atoms Elapsed time: 0 ms *** RECORD no.: 527 read *********************** Name B12777_2p0 34 atoms Elapsed time: 0 ms *** RECORD no.: 528 read *********************** Name B76848_1p0 39 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 529 read *********************** Name B137318_1p0 62 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 530 read *********************** Name B137318_2p0 62 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 36-35 ERROR initster(): Resetting a trans double bond in a small ring to cis: 28-33 ERROR initster(): Resetting a trans double bond in a small ring to cis: 32-31 ERROR initster(): Resetting a trans double bond in a small ring to cis: 30-29 Elapsed time: 0 ms *** RECORD no.: 531 read *********************** Name B32897_1p0 32 atoms Elapsed time: 0 ms *** RECORD no.: 532 read *********************** Name B04066_1p0 21 atoms Elapsed time: 0 ms *** RECORD no.: 533 read *********************** Name B06449_1p0 42 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 534 read *********************** Name B06449_2p0 42 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 20-19 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-17 ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 14-13 Elapsed time: 0 ms *** RECORD no.: 535 read *********************** Name B01247_1p0 57 atoms WARNING initster(): Stereo atom 20 without stereo descriptor WARNING initster(): Stereo atom 23 without stereo descriptor Elapsed time: 10 ms *** RECORD no.: 536 read *********************** Name B09407_1p0 28 atoms Elapsed time: 0 ms *** RECORD no.: 537 read *********************** Name B133634_1p0 69 atoms Elapsed time: 20 ms *** RECORD no.: 538 read *********************** Name B80862_1p0 49 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 0 ms *** RECORD no.: 539 read *********************** Name B09506_1p0 50 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms *** RECORD no.: 540 read *********************** Name B09506_2p0 50 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 19-24 ERROR initster(): Resetting a trans double bond in a small ring to cis: 21-20 Elapsed time: 0 ms *** RECORD no.: 541 read *********************** Name B07798_1p0 51 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-16 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 Elapsed time: 10 ms *** RECORD no.: 542 read *********************** Name B142846_1p0 54 atoms Elapsed time: 10 ms *** RECORD no.: 543 read *********************** Name B87756_1p0 56 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 47-46 ERROR initster(): Resetting a trans double bond in a small ring to cis: 45-44 ERROR initster(): Resetting a trans double bond in a small ring to cis: 38-43 ERROR initster(): Resetting a trans double bond in a small ring to cis: 42-41 ERROR initster(): Resetting a trans double bond in a small ring to cis: 40-39 Elapsed time: 10 ms *** RECORD no.: 544 read *********************** Name B13258_1p0 44 atoms Elapsed time: 0 ms *** RECORD no.: 545 read *********************** Name B144509_1p0 51 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 16-15 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(): Resetting a trans double bond in a small ring to cis: 10-9 Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 546 in line 54042). *** RECORD no.: 546 read *********************** Name B21822_1p0 46 atoms Elapsed time: 10 ms ERROR rmdl(): Non-standard element (Record no. 547 in line 54119). *** RECORD no.: 547 read *********************** Name B21822_2p0 46 atoms Elapsed time: 0 ms *** RECORD no.: 548 read *********************** Name B19478_1p0 38 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-12 ERROR initster(): Resetting a trans double bond in a small ring to cis: 11-10 Elapsed time: 0 ms *** RECORD no.: 549 read *********************** Name B19104_1p0 34 atoms Elapsed time: 0 ms *** RECORD no.: 550 read *********************** Name B81610_1p0 40 atoms Elapsed time: 10 ms *** RECORD no.: 551 read *********************** Name B06895_1p0 75 atoms ERROR initster(): Resetting a trans double bond in a small ring to cis: 52-51 ERROR initster(): Resetting a trans double bond in a small ring to cis: 8-13 ERROR initster(): Resetting a trans double bond in a small ring to cis: 12-11 ERROR initster(