COMPND HMDB0037648 HETATM 1 O1 UNL 1 -4.134 -0.428 2.880 1.00 0.00 O HETATM 2 C1 UNL 1 -4.418 0.282 1.886 1.00 0.00 C HETATM 3 O2 UNL 1 -3.545 0.220 0.816 1.00 0.00 O HETATM 4 C2 UNL 1 -2.375 -0.584 0.791 1.00 0.00 C HETATM 5 C3 UNL 1 -2.451 -1.675 -0.224 1.00 0.00 C HETATM 6 C4 UNL 1 -1.165 -2.389 -0.301 1.00 0.00 C HETATM 7 C5 UNL 1 -1.149 -3.664 -0.837 1.00 0.00 C HETATM 8 O3 UNL 1 -2.352 -4.215 -1.263 1.00 0.00 O HETATM 9 C6 UNL 1 0.044 -4.371 -0.946 1.00 0.00 C HETATM 10 C7 UNL 1 1.222 -3.814 -0.522 1.00 0.00 C HETATM 11 O4 UNL 1 2.397 -4.557 -0.649 1.00 0.00 O HETATM 12 C8 UNL 1 1.228 -2.539 0.018 1.00 0.00 C HETATM 13 C9 UNL 1 2.486 -1.981 0.403 1.00 0.00 C HETATM 14 C10 UNL 1 3.268 -2.495 1.528 1.00 0.00 C HETATM 15 C11 UNL 1 2.843 -3.330 2.529 1.00 0.00 C HETATM 16 O5 UNL 1 1.572 -3.762 2.629 1.00 0.00 O HETATM 17 C12 UNL 1 3.808 -3.722 3.473 1.00 0.00 C HETATM 18 C13 UNL 1 5.107 -3.323 3.444 1.00 0.00 C HETATM 19 O6 UNL 1 6.021 -3.732 4.389 1.00 0.00 O HETATM 20 C14 UNL 1 5.504 -2.483 2.431 1.00 0.00 C HETATM 21 C15 UNL 1 4.625 -2.065 1.485 1.00 0.00 C HETATM 22 O7 UNL 1 4.922 -1.204 0.411 1.00 0.00 O HETATM 23 C16 UNL 1 4.056 -0.068 0.244 1.00 0.00 C HETATM 24 C17 UNL 1 4.308 0.504 -1.100 1.00 0.00 C HETATM 25 C18 UNL 1 4.309 1.898 -1.250 1.00 0.00 C HETATM 26 C19 UNL 1 4.540 2.476 -2.468 1.00 0.00 C HETATM 27 O8 UNL 1 4.545 3.872 -2.640 1.00 0.00 O HETATM 28 C20 UNL 1 4.781 1.737 -3.605 1.00 0.00 C HETATM 29 O9 UNL 1 5.013 2.357 -4.833 1.00 0.00 O HETATM 30 C21 UNL 1 4.781 0.369 -3.462 1.00 0.00 C HETATM 31 O10 UNL 1 5.015 -0.457 -4.557 1.00 0.00 O HETATM 32 C22 UNL 1 4.549 -0.232 -2.235 1.00 0.00 C HETATM 33 C23 UNL 1 2.607 -0.469 0.453 1.00 0.00 C HETATM 34 O11 UNL 1 2.266 0.013 1.715 1.00 0.00 O HETATM 35 C24 UNL 1 0.032 -1.857 0.115 1.00 0.00 C HETATM 36 O12 UNL 1 -0.008 -0.567 0.655 1.00 0.00 O HETATM 37 C25 UNL 1 -1.126 0.245 0.741 1.00 0.00 C HETATM 38 C26 UNL 1 -1.074 1.243 -0.332 1.00 0.00 C HETATM 39 C27 UNL 1 -1.363 2.558 -0.055 1.00 0.00 C HETATM 40 C28 UNL 1 -1.337 3.568 -1.000 1.00 0.00 C HETATM 41 O13 UNL 1 -1.637 4.884 -0.668 1.00 0.00 O HETATM 42 C29 UNL 1 -0.999 3.221 -2.297 1.00 0.00 C HETATM 43 O14 UNL 1 -0.944 4.166 -3.326 1.00 0.00 O HETATM 44 C30 UNL 1 -0.703 1.889 -2.591 1.00 0.00 C HETATM 45 O15 UNL 1 -0.361 1.544 -3.909 1.00 0.00 O HETATM 46 C31 UNL 1 -0.740 0.912 -1.623 1.00 0.00 C HETATM 47 C32 UNL 1 -5.607 1.138 1.843 1.00 0.00 C HETATM 48 C33 UNL 1 -5.872 1.909 0.717 1.00 0.00 C HETATM 49 C34 UNL 1 -6.991 2.712 0.679 1.00 0.00 C HETATM 50 O16 UNL 1 -7.284 3.494 -0.427 1.00 0.00 O HETATM 51 C35 UNL 1 -7.875 2.774 1.750 1.00 0.00 C HETATM 52 O17 UNL 1 -8.979 3.596 1.657 1.00 0.00 O HETATM 53 C36 UNL 1 -7.619 2.007 2.880 1.00 0.00 C HETATM 54 O18 UNL 1 -8.463 2.029 3.973 1.00 0.00 O HETATM 55 C37 UNL 1 -6.489 1.209 2.894 1.00 0.00 C HETATM 56 H1 UNL 1 -2.360 -1.099 1.790 1.00 0.00 H HETATM 57 H2 UNL 1 -3.210 -2.415 0.136 1.00 0.00 H HETATM 58 H3 UNL 1 -2.808 -1.330 -1.218 1.00 0.00 H HETATM 59 H4 UNL 1 -2.336 -5.152 -1.656 1.00 0.00 H HETATM 60 H5 UNL 1 -0.010 -5.376 -1.379 1.00 0.00 H HETATM 61 H6 UNL 1 2.365 -5.470 -1.039 1.00 0.00 H HETATM 62 H7 UNL 1 3.171 -2.220 -0.519 1.00 0.00 H HETATM 63 H8 UNL 1 0.763 -3.627 2.161 1.00 0.00 H HETATM 64 H9 UNL 1 3.439 -4.384 4.251 1.00 0.00 H HETATM 65 H10 UNL 1 6.978 -3.415 4.335 1.00 0.00 H HETATM 66 H11 UNL 1 6.556 -2.144 2.379 1.00 0.00 H HETATM 67 H12 UNL 1 4.354 0.743 0.969 1.00 0.00 H HETATM 68 H13 UNL 1 4.122 2.527 -0.372 1.00 0.00 H HETATM 69 H14 UNL 1 4.376 4.506 -1.863 1.00 0.00 H HETATM 70 H15 UNL 1 5.004 3.353 -4.894 1.00 0.00 H HETATM 71 H16 UNL 1 5.190 -0.107 -5.481 1.00 0.00 H HETATM 72 H17 UNL 1 4.565 -1.331 -2.165 1.00 0.00 H HETATM 73 H18 UNL 1 2.043 -0.027 -0.379 1.00 0.00 H HETATM 74 H19 UNL 1 2.271 0.985 1.720 1.00 0.00 H HETATM 75 H20 UNL 1 -1.067 0.739 1.764 1.00 0.00 H HETATM 76 H21 UNL 1 -1.634 2.871 0.959 1.00 0.00 H HETATM 77 H22 UNL 1 -1.625 5.622 -1.318 1.00 0.00 H HETATM 78 H23 UNL 1 -1.137 5.127 -3.202 1.00 0.00 H HETATM 79 H24 UNL 1 -0.144 0.581 -4.130 1.00 0.00 H HETATM 80 H25 UNL 1 -0.495 -0.102 -1.932 1.00 0.00 H HETATM 81 H26 UNL 1 -5.180 1.865 -0.128 1.00 0.00 H HETATM 82 H27 UNL 1 -6.730 3.543 -1.263 1.00 0.00 H HETATM 83 H28 UNL 1 -9.667 3.700 2.384 1.00 0.00 H HETATM 84 H29 UNL 1 -9.287 2.584 4.015 1.00 0.00 H HETATM 85 H30 UNL 1 -6.294 0.618 3.764 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 47 CONECT 3 4 CONECT 4 5 37 56 CONECT 5 6 57 58 CONECT 6 7 7 35 CONECT 7 8 9 CONECT 8 59 CONECT 9 10 10 60 CONECT 10 11 12 CONECT 11 61 CONECT 12 13 35 35 CONECT 13 14 33 62 CONECT 14 15 15 21 CONECT 15 16 17 CONECT 16 63 CONECT 17 18 18 64 CONECT 18 19 20 CONECT 19 65 CONECT 20 21 21 66 CONECT 21 22 CONECT 22 23 CONECT 23 24 33 67 CONECT 24 25 25 32 CONECT 25 26 68 CONECT 26 27 28 28 CONECT 27 69 CONECT 28 29 30 CONECT 29 70 CONECT 30 31 32 32 CONECT 31 71 CONECT 32 72 CONECT 33 34 73 CONECT 34 74 CONECT 35 36 CONECT 36 37 CONECT 37 38 75 CONECT 38 39 39 46 CONECT 39 40 76 CONECT 40 41 42 42 CONECT 41 77 CONECT 42 43 44 CONECT 43 78 CONECT 44 45 46 46 CONECT 45 79 CONECT 46 80 CONECT 47 48 48 55 CONECT 48 49 81 CONECT 49 50 51 51 CONECT 50 82 CONECT 51 52 53 CONECT 52 83 CONECT 53 54 55 55 CONECT 54 84 CONECT 55 85 END