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][CH2][CH2][CH2][CH2]/[CH]=[CH]\[CH2]/[CH]=[CH]\[CH2][CH2][CH2][CH2][CH3] ATOM 1 C 1 8.282 1.115 1.061 ATOM 2 O 1 8.991 1.834 1.745 ATOM 3 O 1 8.808 0.278 0.264 ATOM 4 C 1 6.779 1.220 1.161 ATOM 5 C 1 6.134 0.217 0.207 ATOM 6 C 1 4.613 0.324 0.308 ATOM 7 C 1 3.967 -0.680 -0.647 ATOM 8 C 1 2.446 -0.573 -0.545 ATOM 9 C 1 1.800 -1.576 -1.500 ATOM 10 C 1 0.279 -1.470 -1.398 ATOM 11 C 1 -0.359 -2.461 -2.341 ATOM 12 C 1 -1.694 -2.546 -2.422 ATOM 13 C 1 -2.560 -1.650 -1.569 ATOM 14 C 1 -4.015 -1.942 -1.848 ATOM 15 C 1 -4.971 -1.262 -1.201 ATOM 16 C 1 -4.594 -0.203 -0.193 ATOM 17 C 1 -5.861 0.415 0.395 ATOM 18 C 1 -5.479 1.487 1.415 ATOM 19 C 1 -6.747 2.105 2.003 ATOM 20 C 1 -6.366 3.176 3.021 ATOM 21 H 1 6.468 2.228 0.893 ATOM 22 H 1 6.468 1.003 2.181 ATOM 23 H 1 6.445 -0.790 0.474 ATOM 24 H 1 6.445 0.434 -0.813 ATOM 25 H 1 4.301 1.331 0.040 ATOM 26 H 1 4.301 0.107 1.328 ATOM 27 H 1 4.278 -1.687 -0.379 ATOM 28 H 1 4.278 -0.462 -1.666 ATOM 29 H 1 2.134 0.435 -0.813 ATOM 30 H 1 2.134 -0.790 0.475 ATOM 31 H 1 2.112 -2.584 -1.232 ATOM 32 H 1 2.112 -1.359 -2.519 ATOM 33 H 1 -0.032 -0.462 -1.666 ATOM 34 H 1 -0.032 -1.687 -0.379 ATOM 35 H 1 0.261 -3.102 -2.951 ATOM 36 H 1 -2.150 -3.255 -3.097 ATOM 37 H 1 -2.348 -1.834 -0.518 ATOM 38 H 1 -2.348 -0.609 -1.805 ATOM 39 H 1 -4.284 -2.700 -2.569 ATOM 40 H 1 -6.011 -1.472 -1.400 ATOM 41 H 1 -4.006 -0.654 0.604 ATOM 42 H 1 -4.006 0.571 -0.683 ATOM 43 H 1 -6.448 0.866 -0.402 ATOM 44 H 1 -6.448 -0.359 0.885 ATOM 45 H 1 -4.892 1.036 2.212 ATOM 46 H 1 -4.892 2.261 0.925 ATOM 47 H 1 -7.334 2.556 1.205 ATOM 48 H 1 -7.334 1.331 2.493 ATOM 49 H 1 -7.268 3.616 3.440 ATOM 50 H 1 -5.778 2.725 3.818 ATOM 51 H 1 -5.778 3.949 2.531 TER CONECT 1 2 3 4 0 CONECT 2 1 0 0 0 CONECT 3 1 0 0 0 CONECT 4 1 5 21 22 CONECT 5 4 6 23 24 CONECT 6 5 7 25 26 CONECT 7 6 8 27 28 CONECT 8 7 9 29 30 CONECT 9 8 10 31 32 CONECT 10 9 11 33 34 CONECT 11 10 12 35 0 CONECT 12 11 13 36 0 CONECT 13 12 14 37 38 CONECT 14 13 15 39 0 CONECT 15 14 16 40 0 CONECT 16 15 17 41 42 CONECT 17 16 18 43 44 CONECT 18 17 19 45 46 CONECT 19 18 20 47 48 CONECT 20 19 49 50 51