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][CH2][CH2][CH2][CH2][CH3] ATOM 1 C 1 8.810 2.220 -1.721 ATOM 2 O 1 10.018 2.104 -1.597 ATOM 3 O 1 8.335 3.025 -2.581 ATOM 4 C 1 7.881 1.407 -0.852 ATOM 5 C 1 6.432 1.738 -1.207 ATOM 6 C 1 5.491 0.916 -0.328 ATOM 7 C 1 4.042 1.247 -0.682 ATOM 8 C 1 3.101 0.425 0.196 ATOM 9 C 1 1.653 0.756 -0.158 ATOM 10 C 1 0.712 -0.066 0.721 ATOM 11 C 1 -0.737 0.265 0.366 ATOM 12 C 1 -1.678 -0.558 1.245 ATOM 13 C 1 -3.126 -0.226 0.891 ATOM 14 C 1 -4.067 -1.049 1.770 ATOM 15 C 1 -5.516 -0.717 1.415 ATOM 16 C 1 -6.457 -1.540 2.294 ATOM 17 C 1 -7.906 -1.208 1.940 ATOM 18 C 1 -8.845 -2.029 2.818 ATOM 19 H 1 8.061 1.644 0.194 ATOM 20 H 1 8.061 0.347 -1.020 ATOM 21 H 1 6.251 1.501 -2.253 ATOM 22 H 1 6.251 2.798 -1.039 ATOM 23 H 1 5.672 1.153 0.718 ATOM 24 H 1 5.672 -0.144 -0.496 ATOM 25 H 1 3.861 1.010 -1.729 ATOM 26 H 1 3.861 2.307 -0.514 ATOM 27 H 1 3.282 0.662 1.243 ATOM 28 H 1 3.282 -0.635 0.028 ATOM 29 H 1 1.472 0.519 -1.204 ATOM 30 H 1 1.472 1.816 0.010 ATOM 31 H 1 0.893 0.171 1.767 ATOM 32 H 1 0.893 -1.126 0.553 ATOM 33 H 1 -0.918 0.028 -0.680 ATOM 34 H 1 -0.918 1.325 0.534 ATOM 35 H 1 -1.497 -0.320 2.292 ATOM 36 H 1 -1.497 -1.617 1.077 ATOM 37 H 1 -3.307 -0.463 -0.155 ATOM 38 H 1 -3.307 0.834 1.059 ATOM 39 H 1 -3.886 -0.811 2.816 ATOM 40 H 1 -3.886 -2.108 1.602 ATOM 41 H 1 -5.697 -0.954 0.369 ATOM 42 H 1 -5.697 0.343 1.583 ATOM 43 H 1 -6.276 -1.302 3.341 ATOM 44 H 1 -6.276 -2.599 2.126 ATOM 45 H 1 -8.086 -1.445 0.894 ATOM 46 H 1 -8.086 -0.148 2.108 ATOM 47 H 1 -9.877 -1.793 2.565 ATOM 48 H 1 -8.664 -1.792 3.864 ATOM 49 H 1 -8.664 -3.089 2.650 TER CONECT 1 2 3 4 0 CONECT 2 1 0 0 0 CONECT 3 1 0 0 0 CONECT 4 1 5 19 20 CONECT 5 4 6 21 22 CONECT 6 5 7 23 24 CONECT 7 6 8 25 26 CONECT 8 7 9 27 28 CONECT 9 8 10 29 30 CONECT 10 9 11 31 32 CONECT 11 10 12 33 34 CONECT 12 11 13 35 36 CONECT 13 12 14 37 38 CONECT 14 13 15 39 40 CONECT 15 14 16 41 42 CONECT 16 15 17 43 44 CONECT 17 16 18 45 46 CONECT 18 17 47 48 49