COMPND HMDB0015185 HETATM 1 C1 UNL 1 -7.786 -2.350 1.381 1.00 0.00 C HETATM 2 O1 UNL 1 -6.796 -1.449 1.065 1.00 0.00 O HETATM 3 C2 UNL 1 -7.285 -0.292 0.482 1.00 0.00 C HETATM 4 C3 UNL 1 -6.808 -0.090 -0.927 1.00 0.00 C HETATM 5 O2 UNL 1 -7.887 -0.030 -1.845 1.00 0.00 O HETATM 6 C4 UNL 1 -8.080 -0.983 -2.832 1.00 0.00 C HETATM 7 N1 UNL 1 -9.136 -0.967 -3.765 1.00 0.00 N HETATM 8 O3 UNL 1 -7.252 -1.930 -2.896 1.00 0.00 O HETATM 9 C5 UNL 1 -5.970 1.132 -1.048 1.00 0.00 C HETATM 10 O4 UNL 1 -6.653 2.280 -1.430 1.00 0.00 O HETATM 11 C6 UNL 1 -5.083 1.354 0.167 1.00 0.00 C HETATM 12 O5 UNL 1 -4.127 0.399 0.191 1.00 0.00 O HETATM 13 C7 UNL 1 -2.826 0.175 0.205 1.00 0.00 C HETATM 14 C8 UNL 1 -2.409 -1.165 0.192 1.00 0.00 C HETATM 15 C9 UNL 1 -1.082 -1.499 0.205 1.00 0.00 C HETATM 16 C10 UNL 1 -0.091 -0.542 0.233 1.00 0.00 C HETATM 17 C11 UNL 1 1.243 -0.894 0.247 1.00 0.00 C HETATM 18 O6 UNL 1 1.711 -2.183 0.234 1.00 0.00 O HETATM 19 C12 UNL 1 2.192 0.137 0.276 1.00 0.00 C HETATM 20 N2 UNL 1 3.607 -0.147 0.292 1.00 0.00 N HETATM 21 C13 UNL 1 4.239 -0.304 1.536 1.00 0.00 C HETATM 22 O7 UNL 1 3.626 -0.209 2.634 1.00 0.00 O HETATM 23 C14 UNL 1 5.676 -0.591 1.583 1.00 0.00 C HETATM 24 C15 UNL 1 6.310 -0.791 2.812 1.00 0.00 C HETATM 25 C16 UNL 1 7.641 -1.056 2.884 1.00 0.00 C HETATM 26 C17 UNL 1 8.406 -1.134 1.711 1.00 0.00 C HETATM 27 O8 UNL 1 9.753 -1.408 1.822 1.00 0.00 O HETATM 28 C18 UNL 1 7.836 -0.947 0.487 1.00 0.00 C HETATM 29 C19 UNL 1 8.605 -0.997 -0.794 1.00 0.00 C HETATM 30 C20 UNL 1 9.315 0.282 -0.952 1.00 0.00 C HETATM 31 C21 UNL 1 10.573 0.388 -1.243 1.00 0.00 C HETATM 32 C22 UNL 1 11.482 -0.738 -1.464 1.00 0.00 C HETATM 33 C23 UNL 1 11.161 1.774 -1.367 1.00 0.00 C HETATM 34 C24 UNL 1 6.468 -0.679 0.472 1.00 0.00 C HETATM 35 C25 UNL 1 1.705 1.421 0.288 1.00 0.00 C HETATM 36 O9 UNL 1 2.563 2.357 0.315 1.00 0.00 O HETATM 37 O10 UNL 1 0.424 1.688 0.274 1.00 0.00 O HETATM 38 C26 UNL 1 -0.509 0.764 0.247 1.00 0.00 C HETATM 39 C27 UNL 1 -1.862 1.144 0.233 1.00 0.00 C HETATM 40 C28 UNL 1 -2.190 2.599 0.261 1.00 0.00 C HETATM 41 O11 UNL 1 -5.828 1.460 1.339 1.00 0.00 O HETATM 42 C29 UNL 1 -7.052 0.893 1.361 1.00 0.00 C HETATM 43 C30 UNL 1 -8.104 1.977 1.130 1.00 0.00 C HETATM 44 C31 UNL 1 -7.284 0.411 2.804 1.00 0.00 C HETATM 45 H1 UNL 1 -8.385 -2.693 0.492 1.00 0.00 H HETATM 46 H2 UNL 1 -8.505 -1.910 2.116 1.00 0.00 H HETATM 47 H3 UNL 1 -7.305 -3.221 1.877 1.00 0.00 H HETATM 48 H4 UNL 1 -8.408 -0.417 0.427 1.00 0.00 H HETATM 49 H5 UNL 1 -6.218 -1.014 -1.188 1.00 0.00 H HETATM 50 H6 UNL 1 -9.126 -0.461 -4.675 1.00 0.00 H HETATM 51 H7 UNL 1 -9.995 -1.509 -3.519 1.00 0.00 H HETATM 52 H8 UNL 1 -5.243 0.935 -1.892 1.00 0.00 H HETATM 53 H9 UNL 1 -7.196 2.033 -2.216 1.00 0.00 H HETATM 54 H10 UNL 1 -4.666 2.373 0.017 1.00 0.00 H HETATM 55 H11 UNL 1 -3.172 -1.919 0.170 1.00 0.00 H HETATM 56 H12 UNL 1 -0.759 -2.551 0.195 1.00 0.00 H HETATM 57 H13 UNL 1 1.144 -2.988 0.214 1.00 0.00 H HETATM 58 H14 UNL 1 4.053 -0.214 -0.628 1.00 0.00 H HETATM 59 H15 UNL 1 5.682 -0.724 3.714 1.00 0.00 H HETATM 60 H16 UNL 1 8.086 -1.203 3.863 1.00 0.00 H HETATM 61 H17 UNL 1 10.326 -1.486 1.007 1.00 0.00 H HETATM 62 H18 UNL 1 7.843 -1.032 -1.617 1.00 0.00 H HETATM 63 H19 UNL 1 9.257 -1.896 -0.820 1.00 0.00 H HETATM 64 H20 UNL 1 8.686 1.185 -0.802 1.00 0.00 H HETATM 65 H21 UNL 1 10.925 -1.615 -1.806 1.00 0.00 H HETATM 66 H22 UNL 1 12.277 -0.450 -2.217 1.00 0.00 H HETATM 67 H23 UNL 1 12.051 -0.973 -0.520 1.00 0.00 H HETATM 68 H24 UNL 1 12.262 1.731 -1.430 1.00 0.00 H HETATM 69 H25 UNL 1 10.699 2.238 -2.252 1.00 0.00 H HETATM 70 H26 UNL 1 10.804 2.332 -0.470 1.00 0.00 H HETATM 71 H27 UNL 1 6.029 -0.532 -0.520 1.00 0.00 H HETATM 72 H28 UNL 1 -2.567 2.996 -0.680 1.00 0.00 H HETATM 73 H29 UNL 1 -2.751 2.864 1.176 1.00 0.00 H HETATM 74 H30 UNL 1 -1.193 3.142 0.399 1.00 0.00 H HETATM 75 H31 UNL 1 -8.742 1.725 0.259 1.00 0.00 H HETATM 76 H32 UNL 1 -8.802 2.082 1.989 1.00 0.00 H HETATM 77 H33 UNL 1 -7.613 2.982 1.039 1.00 0.00 H HETATM 78 H34 UNL 1 -6.851 1.158 3.525 1.00 0.00 H HETATM 79 H35 UNL 1 -8.352 0.297 3.023 1.00 0.00 H HETATM 80 H36 UNL 1 -6.714 -0.524 2.981 1.00 0.00 H CONECT 1 2 45 46 47 CONECT 2 3 CONECT 3 4 42 48 CONECT 4 5 9 49 CONECT 5 6 CONECT 6 7 8 8 CONECT 7 50 51 CONECT 9 10 11 52 CONECT 10 53 CONECT 11 12 41 54 CONECT 12 13 CONECT 13 14 14 39 CONECT 14 15 55 CONECT 15 16 16 56 CONECT 16 17 38 CONECT 17 18 19 19 CONECT 18 57 CONECT 19 20 35 CONECT 20 21 58 CONECT 21 22 22 23 CONECT 23 24 24 34 CONECT 24 25 59 CONECT 25 26 26 60 CONECT 26 27 28 CONECT 27 61 CONECT 28 29 34 34 CONECT 29 30 62 63 CONECT 30 31 31 64 CONECT 31 32 33 CONECT 32 65 66 67 CONECT 33 68 69 70 CONECT 34 71 CONECT 35 36 36 37 CONECT 37 38 CONECT 38 39 39 CONECT 39 40 CONECT 40 72 73 74 CONECT 41 42 CONECT 42 43 44 CONECT 43 75 76 77 CONECT 44 78 79 80 END