REMARK Release Notice REMARK This file, and all files referenced herein that are not contributed by REMARK someone else, are unequivocably placed in the public domain. Be mindful REMARK that we use code, libraries, and information contributed by others, and REMARK they may not have released their work into the public domain. Our REMARK goal is to release our own work, not inadvertantly place someone else's REMARK in the public domain. REMARK If you use, modify, redistribute, or publish anything in this file or based REMARK on this work, we ask that you follow good scholarly practice and: REMARK 1. cite the software system and file, or database and accession number, REMARK as relevant, in all files or data you redistribute; REMARK 2. reference the most current URL and archival publication for this work, REMARK which will always be found at REMARK http://www.biocheminfo.org/repository/current_references.html, REMARK in your package, database, redistribution, or publication; REMARK 3. record all your modifications to this file in a new file that REMARK preserves this message and authorship information, contains your REMARK authorship information and code or data, and is named with a name REMARK different from this file's name. REMARK The suitability of this work for any purpose is neither expressed nor implied. Use REMARK it at your own risk! REMARK Why we release knowledge this way is explained at REMARK http://www.biocheminfo.org/release_notes.html REMARK Toni Kazic, February 28, 2002 COMPNDStr1 REMARK [C](=[O])([O-])[CH2][CH2][CH2]/[CH]=[CH]\[CH2]/[CH]=[CH]\[CH2]/[CH]=[CH]\[CH2]/[CH]=[CH]\[CH2][CH2][CH2][CH2][CH3] ATOM 1 C 1 0.334 3.583 -3.409 ATOM 2 O 1 -0.854 3.782 -3.599 ATOM 3 O 1 1.201 4.255 -4.048 ATOM 4 C 1 0.775 2.536 -2.413 ATOM 5 C 1 2.301 2.488 -2.367 ATOM 6 C 1 2.747 1.429 -1.360 ATOM 7 C 1 4.255 1.381 -1.314 ATOM 8 C 1 4.874 0.520 -0.495 ATOM 9 C 1 4.062 -0.403 0.383 ATOM 10 C 1 4.992 -1.265 1.203 ATOM 11 C 1 4.490 -2.165 2.060 ATOM 12 C 1 2.995 -2.317 2.205 ATOM 13 C 1 2.695 -3.390 3.225 ATOM 14 C 1 1.425 -3.698 3.519 ATOM 15 C 1 0.293 -2.974 2.829 ATOM 16 C 1 -1.027 -3.506 3.335 ATOM 17 C 1 -2.176 -3.007 2.860 ATOM 18 C 1 -2.152 -1.913 1.820 ATOM 19 C 1 -3.584 -1.527 1.453 ATOM 20 C 1 -3.559 -0.420 0.400 ATOM 21 C 1 -4.991 -0.034 0.033 ATOM 22 C 1 -4.966 1.071 -1.019 ATOM 23 H 1 0.390 1.564 -2.715 ATOM 24 H 1 0.390 2.789 -1.427 ATOM 25 H 1 2.686 3.460 -2.066 ATOM 26 H 1 2.686 2.235 -3.353 ATOM 27 H 1 2.362 0.457 -1.661 ATOM 28 H 1 2.362 1.682 -0.374 ATOM 29 H 1 4.836 2.041 -1.942 ATOM 30 H 1 5.953 0.485 -0.462 ATOM 31 H 1 3.435 0.188 1.048 ATOM 32 H 1 3.435 -1.037 -0.240 ATOM 33 H 1 6.062 -1.156 1.099 ATOM 34 H 1 5.156 -2.781 2.646 ATOM 35 H 1 2.565 -1.374 2.533 ATOM 36 H 1 2.565 -2.598 1.246 ATOM 37 H 1 3.505 -3.908 3.718 ATOM 38 H 1 1.210 -4.465 4.248 ATOM 39 H 1 0.361 -1.909 3.043 ATOM 40 H 1 0.361 -3.134 1.755 ATOM 41 H 1 -1.044 -4.288 4.080 ATOM 42 H 1 -3.120 -3.387 3.222 ATOM 43 H 1 -1.633 -1.044 2.219 ATOM 44 H 1 -1.633 -2.268 0.932 ATOM 45 H 1 -4.102 -2.396 1.053 ATOM 46 H 1 -4.102 -1.171 2.341 ATOM 47 H 1 -3.040 0.449 0.799 ATOM 48 H 1 -3.040 -0.776 -0.488 ATOM 49 H 1 -5.510 -0.903 -0.367 ATOM 50 H 1 -5.510 0.321 0.920 ATOM 51 H 1 -5.986 1.346 -1.281 ATOM 52 H 1 -4.448 1.940 -0.620 ATOM 53 H 1 -4.448 0.716 -1.907 TER CONECT 1 2 3 4 0 CONECT 2 1 0 0 0 CONECT 3 1 0 0 0 CONECT 4 1 5 23 24 CONECT 5 4 6 25 26 CONECT 6 5 7 27 28 CONECT 7 6 8 29 0 CONECT 8 7 9 30 0 CONECT 9 8 10 31 32 CONECT 10 9 11 33 0 CONECT 11 10 12 34 0 CONECT 12 11 13 35 36 CONECT 13 12 14 37 0 CONECT 14 13 15 38 0 CONECT 15 14 16 39 40 CONECT 16 15 17 41 0 CONECT 17 16 18 42 0 CONECT 18 17 19 43 44 CONECT 19 18 20 45 46 CONECT 20 19 21 47 48 CONECT 21 20 22 49 50 CONECT 22 21 51 52 53