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][CH2][CH2][CH2][CH3] ATOM 1 C 1 6.411 1.747 1.217 ATOM 2 O 1 7.620 1.634 1.096 ATOM 3 O 1 5.930 2.550 2.075 ATOM 4 C 1 5.486 0.931 0.345 ATOM 5 C 1 4.035 1.259 0.695 ATOM 6 C 1 3.100 0.434 -0.187 ATOM 7 C 1 1.649 0.761 0.164 ATOM 8 C 1 0.713 -0.064 -0.719 ATOM 9 C 1 -0.738 0.264 -0.368 ATOM 10 C 1 -1.674 -0.562 -1.250 ATOM 11 C 1 -3.124 -0.234 -0.900 ATOM 12 C 1 -4.060 -1.059 -1.782 ATOM 13 C 1 -5.511 -0.731 -1.432 ATOM 14 C 1 -6.445 -1.556 -2.313 ATOM 15 H 1 5.670 -0.128 0.513 ATOM 16 H 1 5.670 1.169 -0.701 ATOM 17 H 1 3.852 2.318 0.527 ATOM 18 H 1 3.852 1.021 1.741 ATOM 19 H 1 3.283 -0.626 -0.019 ATOM 20 H 1 3.283 0.672 -1.232 ATOM 21 H 1 1.466 1.820 -0.005 ATOM 22 H 1 1.466 0.523 1.209 ATOM 23 H 1 0.896 -1.123 -0.550 ATOM 24 H 1 0.896 0.174 -1.764 ATOM 25 H 1 -0.921 1.323 -0.536 ATOM 26 H 1 -0.921 0.025 0.677 ATOM 27 H 1 -1.490 -1.621 -1.082 ATOM 28 H 1 -1.490 -0.323 -2.296 ATOM 29 H 1 -3.308 0.825 -1.068 ATOM 30 H 1 -3.308 -0.472 0.146 ATOM 31 H 1 -3.877 -2.118 -1.614 ATOM 32 H 1 -3.877 -0.821 -2.828 ATOM 33 H 1 -5.694 0.328 -1.600 ATOM 34 H 1 -5.694 -0.970 -0.386 ATOM 35 H 1 -7.478 -1.322 -2.063 ATOM 36 H 1 -6.262 -2.615 -2.145 ATOM 37 H 1 -6.262 -1.317 -3.358 TER CONECT 1 2 3 4 0 CONECT 2 1 0 0 0 CONECT 3 1 0 0 0 CONECT 4 1 5 15 16 CONECT 5 4 6 17 18 CONECT 6 5 7 19 20 CONECT 7 6 8 21 22 CONECT 8 7 9 23 24 CONECT 9 8 10 25 26 CONECT 10 9 11 27 28 CONECT 11 10 12 29 30 CONECT 12 11 13 31 32 CONECT 13 12 14 33 34 CONECT 14 13 35 36 37