COMPND HMDB0002895 HETATM 1 O1 UNL 1 -0.380 -1.070 -4.132 1.00 0.00 O HETATM 2 C1 UNL 1 0.843 -1.244 -3.933 1.00 0.00 C HETATM 3 O2 UNL 1 1.588 -1.886 -4.903 1.00 0.00 O HETATM 4 C2 UNL 1 1.530 -0.799 -2.719 1.00 0.00 C HETATM 5 C3 UNL 1 2.864 -1.003 -2.532 1.00 0.00 C HETATM 6 C4 UNL 1 3.461 -0.544 -1.330 1.00 0.00 C HETATM 7 O3 UNL 1 4.773 -0.753 -1.162 1.00 0.00 O HETATM 8 C5 UNL 1 2.678 0.107 -0.362 1.00 0.00 C HETATM 9 C6 UNL 1 1.340 0.305 -0.558 1.00 0.00 C HETATM 10 C7 UNL 1 0.784 -0.166 -1.767 1.00 0.00 C HETATM 11 C8 UNL 1 0.469 0.943 0.425 1.00 0.00 C HETATM 12 C9 UNL 1 -0.794 0.165 0.754 1.00 0.00 C HETATM 13 C10 UNL 1 -0.567 -1.208 1.129 1.00 0.00 C HETATM 14 C11 UNL 1 0.386 -1.594 2.070 1.00 0.00 C HETATM 15 C12 UNL 1 0.635 -2.902 2.411 1.00 0.00 C HETATM 16 C13 UNL 1 -0.071 -3.888 1.813 1.00 0.00 C HETATM 17 C14 UNL 1 -1.050 -3.566 0.854 1.00 0.00 C HETATM 18 O4 UNL 1 -1.691 -4.635 0.324 1.00 0.00 O HETATM 19 C15 UNL 1 -1.275 -2.231 0.536 1.00 0.00 C HETATM 20 C16 UNL 1 -2.346 -1.970 -0.417 1.00 0.00 C HETATM 21 O5 UNL 1 -2.998 -2.862 -0.967 1.00 0.00 O HETATM 22 C17 UNL 1 -2.664 -0.565 -0.737 1.00 0.00 C HETATM 23 C18 UNL 1 -3.724 -0.292 -1.595 1.00 0.00 C HETATM 24 O6 UNL 1 -4.458 -1.215 -2.212 1.00 0.00 O HETATM 25 C19 UNL 1 -4.064 1.043 -1.846 1.00 0.00 C HETATM 26 C20 UNL 1 -3.341 2.028 -1.237 1.00 0.00 C HETATM 27 C21 UNL 1 -3.673 3.452 -1.477 1.00 0.00 C HETATM 28 O7 UNL 1 -3.033 4.371 -0.937 1.00 0.00 O HETATM 29 O8 UNL 1 -4.724 3.765 -2.327 1.00 0.00 O HETATM 30 C22 UNL 1 -2.301 1.745 -0.396 1.00 0.00 C HETATM 31 C23 UNL 1 -1.920 0.411 -0.115 1.00 0.00 C HETATM 32 C24 UNL 1 1.118 1.547 1.589 1.00 0.00 C HETATM 33 C25 UNL 1 0.364 2.276 2.477 1.00 0.00 C HETATM 34 C26 UNL 1 0.971 2.817 3.588 1.00 0.00 C HETATM 35 C27 UNL 1 2.300 2.653 3.836 1.00 0.00 C HETATM 36 C28 UNL 1 3.105 1.914 2.950 1.00 0.00 C HETATM 37 O9 UNL 1 4.430 1.775 3.237 1.00 0.00 O HETATM 38 C29 UNL 1 2.463 1.377 1.831 1.00 0.00 C HETATM 39 C30 UNL 1 3.296 0.640 0.852 1.00 0.00 C HETATM 40 O10 UNL 1 4.500 0.459 1.024 1.00 0.00 O HETATM 41 H1 UNL 1 2.188 -2.645 -4.643 1.00 0.00 H HETATM 42 H2 UNL 1 3.497 -1.497 -3.248 1.00 0.00 H HETATM 43 H3 UNL 1 5.428 -0.575 -0.500 1.00 0.00 H HETATM 44 H4 UNL 1 -0.248 -0.001 -1.935 1.00 0.00 H HETATM 45 H5 UNL 1 0.057 1.861 -0.131 1.00 0.00 H HETATM 46 H6 UNL 1 -1.119 0.662 1.756 1.00 0.00 H HETATM 47 H7 UNL 1 0.951 -0.849 2.569 1.00 0.00 H HETATM 48 H8 UNL 1 1.398 -3.133 3.158 1.00 0.00 H HETATM 49 H9 UNL 1 0.127 -4.931 2.083 1.00 0.00 H HETATM 50 H10 UNL 1 -2.371 -4.813 -0.313 1.00 0.00 H HETATM 51 H11 UNL 1 -4.499 -2.160 -2.267 1.00 0.00 H HETATM 52 H12 UNL 1 -4.890 1.288 -2.514 1.00 0.00 H HETATM 53 H13 UNL 1 -5.217 4.628 -2.320 1.00 0.00 H HETATM 54 H14 UNL 1 -1.728 2.499 0.109 1.00 0.00 H HETATM 55 H15 UNL 1 -0.695 2.482 2.385 1.00 0.00 H HETATM 56 H16 UNL 1 0.370 3.404 4.305 1.00 0.00 H HETATM 57 H17 UNL 1 2.804 3.064 4.697 1.00 0.00 H HETATM 58 H18 UNL 1 5.124 1.319 2.772 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 4 CONECT 3 41 CONECT 4 5 5 10 CONECT 5 6 42 CONECT 6 7 8 8 CONECT 7 43 CONECT 8 9 39 CONECT 9 10 10 11 CONECT 10 44 CONECT 11 12 32 45 CONECT 12 13 31 46 CONECT 13 14 14 19 CONECT 14 15 47 CONECT 15 16 16 48 CONECT 16 17 49 CONECT 17 18 19 19 CONECT 18 50 CONECT 19 20 CONECT 20 21 21 22 CONECT 22 23 23 31 CONECT 23 24 25 CONECT 24 51 CONECT 25 26 26 52 CONECT 26 27 30 CONECT 27 28 28 29 CONECT 29 53 CONECT 30 31 31 54 CONECT 32 33 33 38 CONECT 33 34 55 CONECT 34 35 35 56 CONECT 35 36 57 CONECT 36 37 38 38 CONECT 37 58 CONECT 38 39 CONECT 39 40 40 END