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@2H2]([OH])[C@2H]([C@2H](/[CH]=[CH]/[C@2H2][C@2H2][C@2H2][C@2H2][C@2H2][C@2H2][C@2H2][C@2H2][C@2H2][C@2H2][C@2H2][C@2H2][CH ATOM 1 C 1 9.530 -1.372 2.674 ATOM 2 O 1 10.666 -0.607 2.263 ATOM 3 C 1 8.450 -1.300 1.597 ATOM 4 C 1 7.236 -2.117 2.037 ATOM 5 C 1 6.168 -2.046 0.971 ATOM 6 C 1 4.963 -1.539 1.264 ATOM 7 C 1 3.895 -1.468 0.199 ATOM 8 C 1 2.626 -0.854 0.790 ATOM 9 C 1 1.546 -0.781 -0.288 ATOM 10 C 1 0.277 -0.167 0.303 ATOM 11 C 1 -0.803 -0.095 -0.775 ATOM 12 C 1 -2.072 0.519 -0.184 ATOM 13 C 1 -3.152 0.591 -1.262 ATOM 14 C 1 -4.421 1.205 -0.671 ATOM 15 C 1 -5.502 1.277 -1.749 ATOM 16 C 1 -6.770 1.891 -1.158 ATOM 17 C 1 -7.851 1.964 -2.236 ATOM 18 C 1 -9.119 2.577 -1.645 ATOM 19 C 1 -10.198 2.650 -2.721 ATOM 20 O 1 7.624 -3.480 2.232 ATOM 21 N 1 8.043 0.125 1.393 ATOM 22 H 1 9.140 -0.969 3.607 ATOM 23 H 1 9.826 -2.408 2.823 ATOM 24 H 1 8.840 -1.702 0.664 ATOM 25 H 1 11.357 -0.647 2.942 ATOM 26 H 1 6.846 -1.714 2.969 ATOM 27 H 1 8.865 0.679 1.095 ATOM 28 H 1 7.311 0.174 0.663 ATOM 29 H 1 7.672 0.508 2.280 ATOM 30 H 1 6.376 -2.403 -0.026 ATOM 31 H 1 8.311 -3.534 2.915 ATOM 32 H 1 4.755 -1.182 2.262 ATOM 33 H 1 4.246 -0.851 -0.626 ATOM 34 H 1 3.677 -2.470 -0.164 ATOM 35 H 1 2.275 -1.470 1.615 ATOM 36 H 1 2.844 0.149 1.153 ATOM 37 H 1 1.897 -0.165 -1.113 ATOM 38 H 1 1.328 -1.784 -0.651 ATOM 39 H 1 -0.074 -0.784 1.128 ATOM 40 H 1 0.495 0.835 0.666 ATOM 41 H 1 -0.452 0.521 -1.600 ATOM 42 H 1 -1.021 -1.097 -1.138 ATOM 43 H 1 -2.423 -0.098 0.641 ATOM 44 H 1 -1.854 1.521 0.179 ATOM 45 H 1 -2.801 1.208 -2.087 ATOM 46 H 1 -3.370 -0.411 -1.625 ATOM 47 H 1 -4.772 0.589 0.154 ATOM 48 H 1 -4.203 2.207 -0.308 ATOM 49 H 1 -5.150 1.894 -2.574 ATOM 50 H 1 -5.719 0.275 -2.112 ATOM 51 H 1 -7.121 1.275 -0.333 ATOM 52 H 1 -6.552 2.894 -0.795 ATOM 53 H 1 -7.499 2.580 -3.061 ATOM 54 H 1 -8.068 0.961 -2.599 ATOM 55 H 1 -9.470 1.961 -0.820 ATOM 56 H 1 -8.901 3.580 -1.282 ATOM 57 H 1 -11.101 3.087 -2.301 ATOM 58 H 1 -9.847 3.266 -3.546 ATOM 59 H 1 -10.416 1.647 -3.085 TER CONECT 1 2 3 22 23 CONECT 2 1 25 0 0 CONECT 3 1 4 21 24 CONECT 4 3 5 20 26 CONECT 5 4 6 30 0 CONECT 6 5 7 32 0 CONECT 7 6 8 33 34 CONECT 8 7 9 35 36 CONECT 9 8 10 37 38 CONECT 10 9 11 39 40 CONECT 11 10 12 41 42 CONECT 12 11 13 43 44 CONECT 13 12 14 45 46 CONECT 14 13 15 47 48 CONECT 15 14 16 49 50 CONECT 16 15 17 51 52 CONECT 17 16 18 53 54 CONECT 18 17 19 55 56 CONECT 19 18 57 58 59 CONECT 20 4 31 0 0 CONECT 21 3 27 28 29