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@2H]-1([O][C@2H]([C@2H]([OH])[C@2H]-1[OH])[C@2H2][O][P@2]([O][P@2]([O][P@2](=[O])([O-])[O-])([O-])=[O])([O-])=[O])-[n+]2([c ATOM 1 C 1 -2.558 -0.880 0.320 ATOM 2 O 1 -1.181 -0.535 0.150 ATOM 3 C 1 -0.501 -1.645 -0.441 ATOM 4 C 1 -1.586 -2.370 -1.260 ATOM 5 O 1 -1.645 -3.739 -0.850 ATOM 6 C 1 -2.929 -1.689 -0.938 ATOM 7 O 1 -3.951 -2.650 -0.660 ATOM 8 C 1 0.662 -1.192 -1.322 ATOM 9 O 1 1.620 -0.493 -0.523 ATOM 10 P 1 2.845 0.001 -1.371 ATOM 11 O 1 3.856 0.759 -0.439 ATOM 12 P 1 5.109 1.280 -1.230 ATOM 13 O 1 6.077 2.025 -0.244 ATOM 14 P 1 7.354 2.572 -0.975 ATOM 15 O 1 8.219 3.257 -0.004 ATOM 16 O 1 8.119 1.408 -1.607 ATOM 17 O 1 6.933 3.558 -2.067 ATOM 18 O 1 5.840 0.096 -1.865 ATOM 19 O 1 4.672 2.208 -2.282 ATOM 20 O 1 3.543 -1.202 -2.009 ATOM 21 O 1 2.376 0.911 -2.426 ATOM 22 N 1 -3.374 0.341 0.385 ATOM 23 C 1 -3.448 1.332 -0.576 ATOM 24 N 1 -4.297 2.277 -0.150 ATOM 25 C 1 -4.780 1.940 1.054 ATOM 26 C 1 -4.212 0.714 1.421 ATOM 27 N 1 -4.539 0.158 2.595 ATOM 28 C 1 -5.402 0.759 3.425 ATOM 29 N 1 -5.965 1.933 3.105 ATOM 30 C 1 -5.678 2.539 1.945 ATOM 31 N 1 -6.275 3.767 1.625 ATOM 32 H 1 -2.677 -1.501 1.206 ATOM 33 H 1 -0.063 -2.297 0.312 ATOM 34 H 1 -3.252 -1.040 -1.749 ATOM 35 H 1 -1.371 -2.251 -2.320 ATOM 36 H 1 -2.912 1.343 -1.513 ATOM 37 H 1 -5.649 0.290 4.366 ATOM 38 H 1 -4.705 -2.513 -1.254 ATOM 39 H 1 -1.479 -4.320 -1.609 ATOM 40 H 1 0.291 -0.532 -2.103 ATOM 41 H 1 1.134 -2.061 -1.775 ATOM 42 H 1 -7.187 3.820 2.056 ATOM 43 H 1 -6.371 3.844 0.623 TER CONECT 1 2 6 22 32 CONECT 2 1 3 0 0 CONECT 3 2 4 8 33 CONECT 4 3 5 6 35 CONECT 5 4 39 0 0 CONECT 6 1 4 7 34 CONECT 7 6 38 0 0 CONECT 8 3 9 40 41 CONECT 9 8 10 0 0 CONECT 10 9 11 20 21 CONECT 11 10 12 0 0 CONECT 12 11 13 18 19 CONECT 13 12 14 0 0 CONECT 14 13 15 16 17 CONECT 15 14 0 0 0 CONECT 16 14 0 0 0 CONECT 17 14 0 0 0 CONECT 18 12 0 0 0 CONECT 19 12 0 0 0 CONECT 20 10 0 0 0 CONECT 21 10 0 0 0 CONECT 22 1 23 26 0 CONECT 23 22 24 36 0 CONECT 24 23 25 0 0 CONECT 25 24 26 30 0 CONECT 26 22 25 27 0 CONECT 27 26 28 0 0 CONECT 28 27 29 37 0 CONECT 29 28 30 0 0 CONECT 30 25 29 31 0 CONECT 31 30 42 43 0