COMPND HMDB0253495 HETATM 1 O1 UNL 1 0.091 -2.934 3.322 1.00 0.00 O HETATM 2 C1 UNL 1 0.399 -3.523 2.256 1.00 0.00 C HETATM 3 O2 UNL 1 0.578 -2.782 1.084 1.00 0.00 O HETATM 4 C2 UNL 1 0.402 -1.401 1.162 1.00 0.00 C HETATM 5 C3 UNL 1 1.662 -0.630 0.753 1.00 0.00 C HETATM 6 O3 UNL 1 1.905 -0.930 -0.583 1.00 0.00 O HETATM 7 C4 UNL 1 3.047 -1.623 -0.957 1.00 0.00 C HETATM 8 O4 UNL 1 3.889 -1.996 -0.102 1.00 0.00 O HETATM 9 C5 UNL 1 3.308 -1.944 -2.376 1.00 0.00 C HETATM 10 C6 UNL 1 2.438 -1.570 -3.374 1.00 0.00 C HETATM 11 C7 UNL 1 2.717 -1.888 -4.688 1.00 0.00 C HETATM 12 C8 UNL 1 3.863 -2.578 -5.005 1.00 0.00 C HETATM 13 N1 UNL 1 4.706 -2.940 -4.030 1.00 0.00 N HETATM 14 C9 UNL 1 4.440 -2.633 -2.749 1.00 0.00 C HETATM 15 C10 UNL 1 1.420 0.829 1.036 1.00 0.00 C HETATM 16 O5 UNL 1 2.578 1.610 0.966 1.00 0.00 O HETATM 17 C11 UNL 1 3.134 2.264 2.057 1.00 0.00 C HETATM 18 O6 UNL 1 2.551 2.131 3.147 1.00 0.00 O HETATM 19 C12 UNL 1 4.334 3.042 1.855 1.00 0.00 C HETATM 20 C13 UNL 1 4.941 3.160 0.627 1.00 0.00 C HETATM 21 C14 UNL 1 6.083 3.905 0.461 1.00 0.00 C HETATM 22 C15 UNL 1 6.593 4.533 1.590 1.00 0.00 C HETATM 23 N2 UNL 1 6.003 4.419 2.783 1.00 0.00 N HETATM 24 C16 UNL 1 4.891 3.691 2.941 1.00 0.00 C HETATM 25 C17 UNL 1 0.261 1.340 0.226 1.00 0.00 C HETATM 26 O7 UNL 1 0.042 2.707 0.310 1.00 0.00 O HETATM 27 C18 UNL 1 0.028 3.488 -0.818 1.00 0.00 C HETATM 28 O8 UNL 1 0.222 2.904 -1.926 1.00 0.00 O HETATM 29 C19 UNL 1 -0.194 4.924 -0.814 1.00 0.00 C HETATM 30 C20 UNL 1 -0.198 5.639 -1.991 1.00 0.00 C HETATM 31 C21 UNL 1 -0.412 7.017 -1.983 1.00 0.00 C HETATM 32 C22 UNL 1 -0.625 7.691 -0.800 1.00 0.00 C HETATM 33 N3 UNL 1 -0.617 6.974 0.334 1.00 0.00 N HETATM 34 C23 UNL 1 -0.410 5.627 0.347 1.00 0.00 C HETATM 35 C24 UNL 1 -0.966 0.535 0.682 1.00 0.00 C HETATM 36 O9 UNL 1 -2.161 1.058 0.211 1.00 0.00 O HETATM 37 C25 UNL 1 -3.124 1.504 1.125 1.00 0.00 C HETATM 38 O10 UNL 1 -2.881 1.417 2.356 1.00 0.00 O HETATM 39 C26 UNL 1 -4.396 2.063 0.682 1.00 0.00 C HETATM 40 C27 UNL 1 -5.325 2.488 1.606 1.00 0.00 C HETATM 41 C28 UNL 1 -6.547 3.026 1.209 1.00 0.00 C HETATM 42 C29 UNL 1 -6.836 3.137 -0.131 1.00 0.00 C HETATM 43 N4 UNL 1 -5.917 2.717 -1.021 1.00 0.00 N HETATM 44 C30 UNL 1 -4.723 2.191 -0.651 1.00 0.00 C HETATM 45 C31 UNL 1 -0.692 -0.881 0.233 1.00 0.00 C HETATM 46 O11 UNL 1 -1.818 -1.706 0.202 1.00 0.00 O HETATM 47 C32 UNL 1 -2.170 -2.319 -0.986 1.00 0.00 C HETATM 48 O12 UNL 1 -1.455 -2.110 -2.003 1.00 0.00 O HETATM 49 C33 UNL 1 -3.328 -3.196 -1.112 1.00 0.00 C HETATM 50 C34 UNL 1 -3.641 -3.789 -2.315 1.00 0.00 C HETATM 51 C35 UNL 1 -4.720 -4.626 -2.501 1.00 0.00 C HETATM 52 C36 UNL 1 -5.527 -4.872 -1.393 1.00 0.00 C HETATM 53 N5 UNL 1 -5.229 -4.297 -0.217 1.00 0.00 N HETATM 54 C37 UNL 1 -4.160 -3.473 -0.051 1.00 0.00 C HETATM 55 C38 UNL 1 0.556 -4.964 2.287 1.00 0.00 C HETATM 56 C39 UNL 1 0.376 -5.666 3.442 1.00 0.00 C HETATM 57 C40 UNL 1 0.530 -7.028 3.443 1.00 0.00 C HETATM 58 C41 UNL 1 0.869 -7.673 2.249 1.00 0.00 C HETATM 59 N6 UNL 1 1.040 -6.959 1.128 1.00 0.00 N HETATM 60 C42 UNL 1 0.892 -5.637 1.122 1.00 0.00 C HETATM 61 H1 UNL 1 0.129 -1.038 2.187 1.00 0.00 H HETATM 62 H2 UNL 1 2.449 -0.988 1.456 1.00 0.00 H HETATM 63 H3 UNL 1 1.551 -1.037 -3.143 1.00 0.00 H HETATM 64 H4 UNL 1 2.041 -1.602 -5.492 1.00 0.00 H HETATM 65 H5 UNL 1 4.109 -2.842 -6.043 1.00 0.00 H HETATM 66 H6 UNL 1 5.119 -2.921 -1.936 1.00 0.00 H HETATM 67 H7 UNL 1 1.083 0.866 2.115 1.00 0.00 H HETATM 68 H8 UNL 1 4.507 2.653 -0.219 1.00 0.00 H HETATM 69 H9 UNL 1 6.595 4.028 -0.476 1.00 0.00 H HETATM 70 H10 UNL 1 7.506 5.132 1.470 1.00 0.00 H HETATM 71 H11 UNL 1 4.396 3.588 3.912 1.00 0.00 H HETATM 72 H12 UNL 1 0.419 1.005 -0.831 1.00 0.00 H HETATM 73 H13 UNL 1 -0.031 5.117 -2.919 1.00 0.00 H HETATM 74 H14 UNL 1 -0.421 7.608 -2.890 1.00 0.00 H HETATM 75 H15 UNL 1 -0.796 8.778 -0.764 1.00 0.00 H HETATM 76 H16 UNL 1 -0.414 5.096 1.293 1.00 0.00 H HETATM 77 H17 UNL 1 -0.909 0.535 1.803 1.00 0.00 H HETATM 78 H18 UNL 1 -5.100 2.401 2.655 1.00 0.00 H HETATM 79 H19 UNL 1 -7.284 3.362 1.925 1.00 0.00 H HETATM 80 H20 UNL 1 -7.790 3.559 -0.470 1.00 0.00 H HETATM 81 H21 UNL 1 -3.999 1.860 -1.375 1.00 0.00 H HETATM 82 H22 UNL 1 -0.196 -0.825 -0.781 1.00 0.00 H HETATM 83 H23 UNL 1 -3.012 -3.594 -3.171 1.00 0.00 H HETATM 84 H24 UNL 1 -4.903 -5.055 -3.471 1.00 0.00 H HETATM 85 H25 UNL 1 -6.373 -5.528 -1.536 1.00 0.00 H HETATM 86 H26 UNL 1 -3.929 -3.016 0.901 1.00 0.00 H HETATM 87 H27 UNL 1 0.116 -5.162 4.346 1.00 0.00 H HETATM 88 H28 UNL 1 0.396 -7.621 4.345 1.00 0.00 H HETATM 89 H29 UNL 1 0.988 -8.748 2.250 1.00 0.00 H HETATM 90 H30 UNL 1 1.033 -5.074 0.206 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 55 CONECT 3 4 CONECT 4 5 45 61 CONECT 5 6 15 62 CONECT 6 7 CONECT 7 8 8 9 CONECT 9 10 10 14 CONECT 10 11 63 CONECT 11 12 12 64 CONECT 12 13 65 CONECT 13 14 14 CONECT 14 66 CONECT 15 16 25 67 CONECT 16 17 CONECT 17 18 18 19 CONECT 19 20 20 24 CONECT 20 21 68 CONECT 21 22 22 69 CONECT 22 23 70 CONECT 23 24 24 CONECT 24 71 CONECT 25 26 35 72 CONECT 26 27 CONECT 27 28 28 29 CONECT 29 30 30 34 CONECT 30 31 73 CONECT 31 32 32 74 CONECT 32 33 75 CONECT 33 34 34 CONECT 34 76 CONECT 35 36 45 77 CONECT 36 37 CONECT 37 38 38 39 CONECT 39 40 40 44 CONECT 40 41 78 CONECT 41 42 42 79 CONECT 42 43 80 CONECT 43 44 44 CONECT 44 81 CONECT 45 46 82 CONECT 46 47 CONECT 47 48 48 49 CONECT 49 50 50 54 CONECT 50 51 83 CONECT 51 52 52 84 CONECT 52 53 85 CONECT 53 54 54 CONECT 54 86 CONECT 55 56 56 60 CONECT 56 57 87 CONECT 57 58 58 88 CONECT 58 59 89 CONECT 59 60 60 CONECT 60 90 END