COMPND HMDB0012188 HETATM 1 C1 UNL 1 -12.665 -0.856 -2.055 1.00 0.00 C HETATM 2 C2 UNL 1 -11.570 0.136 -1.914 1.00 0.00 C HETATM 3 C3 UNL 1 -11.545 1.331 -2.806 1.00 0.00 C HETATM 4 C4 UNL 1 -10.638 -0.072 -0.986 1.00 0.00 C HETATM 5 C5 UNL 1 -9.511 0.836 -0.754 1.00 0.00 C HETATM 6 C6 UNL 1 -8.149 0.293 -0.970 1.00 0.00 C HETATM 7 C7 UNL 1 -7.760 -0.863 -0.146 1.00 0.00 C HETATM 8 C8 UNL 1 -8.428 -2.191 -0.189 1.00 0.00 C HETATM 9 C9 UNL 1 -6.713 -0.772 0.705 1.00 0.00 C HETATM 10 C10 UNL 1 -6.273 -1.882 1.554 1.00 0.00 C HETATM 11 C11 UNL 1 -4.847 -2.307 1.269 1.00 0.00 C HETATM 12 C12 UNL 1 -3.895 -1.184 1.495 1.00 0.00 C HETATM 13 C13 UNL 1 -3.783 -0.541 2.848 1.00 0.00 C HETATM 14 C14 UNL 1 -3.112 -0.699 0.547 1.00 0.00 C HETATM 15 C15 UNL 1 -2.164 0.426 0.790 1.00 0.00 C HETATM 16 C16 UNL 1 -0.761 -0.107 0.507 1.00 0.00 C HETATM 17 C17 UNL 1 0.162 1.045 0.760 1.00 0.00 C HETATM 18 C18 UNL 1 0.255 1.714 2.070 1.00 0.00 C HETATM 19 C19 UNL 1 0.914 1.471 -0.226 1.00 0.00 C HETATM 20 C20 UNL 1 1.866 2.579 -0.152 1.00 0.00 C HETATM 21 C21 UNL 1 3.296 2.243 -0.419 1.00 0.00 C HETATM 22 C22 UNL 1 3.886 1.254 0.534 1.00 0.00 C HETATM 23 C23 UNL 1 3.302 -0.094 0.660 1.00 0.00 C HETATM 24 C24 UNL 1 4.925 1.591 1.283 1.00 0.00 C HETATM 25 C25 UNL 1 5.600 0.723 2.252 1.00 0.00 C HETATM 26 C26 UNL 1 7.066 0.778 2.139 1.00 0.00 C HETATM 27 C27 UNL 1 7.751 0.370 0.922 1.00 0.00 C HETATM 28 C28 UNL 1 9.270 0.503 0.925 1.00 0.00 C HETATM 29 C29 UNL 1 7.222 -0.099 -0.183 1.00 0.00 C HETATM 30 C30 UNL 1 7.937 -0.511 -1.419 1.00 0.00 C HETATM 31 O1 UNL 1 9.290 -0.385 -1.395 1.00 0.00 O HETATM 32 P1 UNL 1 10.048 -0.864 -2.804 1.00 0.00 P HETATM 33 O2 UNL 1 9.161 -0.477 -3.964 1.00 0.00 O HETATM 34 O3 UNL 1 10.249 -2.542 -2.871 1.00 0.00 O HETATM 35 O4 UNL 1 11.505 -0.047 -2.951 1.00 0.00 O HETATM 36 P2 UNL 1 12.477 -0.234 -1.581 1.00 0.00 P HETATM 37 O5 UNL 1 12.132 -1.520 -0.867 1.00 0.00 O HETATM 38 O6 UNL 1 12.248 1.026 -0.478 1.00 0.00 O HETATM 39 O7 UNL 1 14.109 -0.204 -2.059 1.00 0.00 O HETATM 40 H1 UNL 1 -12.375 -1.531 -2.902 1.00 0.00 H HETATM 41 H2 UNL 1 -12.830 -1.451 -1.132 1.00 0.00 H HETATM 42 H3 UNL 1 -13.621 -0.340 -2.272 1.00 0.00 H HETATM 43 H4 UNL 1 -12.533 1.441 -3.331 1.00 0.00 H HETATM 44 H5 UNL 1 -10.779 1.262 -3.596 1.00 0.00 H HETATM 45 H6 UNL 1 -11.412 2.259 -2.239 1.00 0.00 H HETATM 46 H7 UNL 1 -10.746 -0.964 -0.371 1.00 0.00 H HETATM 47 H8 UNL 1 -9.612 1.221 0.291 1.00 0.00 H HETATM 48 H9 UNL 1 -9.615 1.726 -1.443 1.00 0.00 H HETATM 49 H10 UNL 1 -7.429 1.135 -0.765 1.00 0.00 H HETATM 50 H11 UNL 1 -7.967 -0.001 -2.029 1.00 0.00 H HETATM 51 H12 UNL 1 -7.605 -2.939 -0.273 1.00 0.00 H HETATM 52 H13 UNL 1 -8.967 -2.271 -1.158 1.00 0.00 H HETATM 53 H14 UNL 1 -9.112 -2.385 0.630 1.00 0.00 H HETATM 54 H15 UNL 1 -6.199 0.192 0.728 1.00 0.00 H HETATM 55 H16 UNL 1 -6.912 -2.759 1.591 1.00 0.00 H HETATM 56 H17 UNL 1 -6.241 -1.501 2.623 1.00 0.00 H HETATM 57 H18 UNL 1 -4.702 -2.659 0.233 1.00 0.00 H HETATM 58 H19 UNL 1 -4.527 -3.130 1.937 1.00 0.00 H HETATM 59 H20 UNL 1 -4.185 0.487 2.828 1.00 0.00 H HETATM 60 H21 UNL 1 -2.749 -0.591 3.233 1.00 0.00 H HETATM 61 H22 UNL 1 -4.413 -1.105 3.595 1.00 0.00 H HETATM 62 H23 UNL 1 -3.154 -1.127 -0.445 1.00 0.00 H HETATM 63 H24 UNL 1 -2.229 0.799 1.832 1.00 0.00 H HETATM 64 H25 UNL 1 -2.381 1.255 0.082 1.00 0.00 H HETATM 65 H26 UNL 1 -0.692 -0.455 -0.531 1.00 0.00 H HETATM 66 H27 UNL 1 -0.494 -0.895 1.238 1.00 0.00 H HETATM 67 H28 UNL 1 -0.288 2.656 2.147 1.00 0.00 H HETATM 68 H29 UNL 1 1.318 1.768 2.399 1.00 0.00 H HETATM 69 H30 UNL 1 -0.234 1.015 2.812 1.00 0.00 H HETATM 70 H31 UNL 1 0.829 0.962 -1.199 1.00 0.00 H HETATM 71 H32 UNL 1 1.567 3.302 -0.968 1.00 0.00 H HETATM 72 H33 UNL 1 1.775 3.182 0.776 1.00 0.00 H HETATM 73 H34 UNL 1 3.869 3.190 -0.427 1.00 0.00 H HETATM 74 H35 UNL 1 3.405 1.790 -1.429 1.00 0.00 H HETATM 75 H36 UNL 1 2.688 -0.089 1.588 1.00 0.00 H HETATM 76 H37 UNL 1 2.615 -0.273 -0.221 1.00 0.00 H HETATM 77 H38 UNL 1 4.053 -0.884 0.652 1.00 0.00 H HETATM 78 H39 UNL 1 5.292 2.623 1.144 1.00 0.00 H HETATM 79 H40 UNL 1 5.303 1.107 3.281 1.00 0.00 H HETATM 80 H41 UNL 1 5.185 -0.315 2.177 1.00 0.00 H HETATM 81 H42 UNL 1 7.481 0.161 2.993 1.00 0.00 H HETATM 82 H43 UNL 1 7.398 1.830 2.455 1.00 0.00 H HETATM 83 H44 UNL 1 9.526 1.241 0.171 1.00 0.00 H HETATM 84 H45 UNL 1 9.622 0.893 1.924 1.00 0.00 H HETATM 85 H46 UNL 1 9.747 -0.474 0.827 1.00 0.00 H HETATM 86 H47 UNL 1 6.115 -0.196 -0.154 1.00 0.00 H HETATM 87 H48 UNL 1 7.639 -1.593 -1.572 1.00 0.00 H HETATM 88 H49 UNL 1 7.455 0.031 -2.269 1.00 0.00 H HETATM 89 H50 UNL 1 10.575 -2.763 -3.777 1.00 0.00 H HETATM 90 H51 UNL 1 13.120 1.355 -0.127 1.00 0.00 H HETATM 91 H52 UNL 1 14.567 -0.971 -1.626 1.00 0.00 H CONECT 1 2 40 41 42 CONECT 2 3 4 4 CONECT 3 43 44 45 CONECT 4 5 46 CONECT 5 6 47 48 CONECT 6 7 49 50 CONECT 7 8 9 9 CONECT 8 51 52 53 CONECT 9 10 54 CONECT 10 11 55 56 CONECT 11 12 57 58 CONECT 12 13 14 14 CONECT 13 59 60 61 CONECT 14 15 62 CONECT 15 16 63 64 CONECT 16 17 65 66 CONECT 17 18 19 19 CONECT 18 67 68 69 CONECT 19 20 70 CONECT 20 21 71 72 CONECT 21 22 73 74 CONECT 22 23 24 24 CONECT 23 75 76 77 CONECT 24 25 78 CONECT 25 26 79 80 CONECT 26 27 81 82 CONECT 27 28 29 29 CONECT 28 83 84 85 CONECT 29 30 86 CONECT 30 31 87 88 CONECT 31 32 CONECT 32 33 33 34 35 CONECT 34 89 CONECT 35 36 CONECT 36 37 37 38 39 CONECT 38 90 CONECT 39 91 END