COMPND HMDB0037089 HETATM 1 O1 UNL 1 3.372 -2.871 0.029 1.00 0.00 O HETATM 2 C1 UNL 1 3.636 -2.083 -0.893 1.00 0.00 C HETATM 3 C2 UNL 1 5.012 -1.607 -1.196 1.00 0.00 C HETATM 4 C3 UNL 1 6.085 -1.956 -0.541 1.00 0.00 C HETATM 5 C4 UNL 1 7.424 -1.474 -0.857 1.00 0.00 C HETATM 6 C5 UNL 1 8.496 -1.927 -0.139 1.00 0.00 C HETATM 7 C6 UNL 1 9.798 -1.515 -0.405 1.00 0.00 C HETATM 8 C7 UNL 1 10.032 -0.633 -1.405 1.00 0.00 C HETATM 9 O2 UNL 1 11.335 -0.180 -1.714 1.00 0.00 O HETATM 10 C8 UNL 1 8.977 -0.134 -2.176 1.00 0.00 C HETATM 11 C9 UNL 1 7.686 -0.588 -1.858 1.00 0.00 C HETATM 12 O3 UNL 1 2.595 -1.619 -1.690 1.00 0.00 O HETATM 13 C10 UNL 1 1.252 -1.946 -1.552 1.00 0.00 C HETATM 14 C11 UNL 1 0.674 -1.523 -0.217 1.00 0.00 C HETATM 15 O4 UNL 1 -0.648 -1.791 -0.085 1.00 0.00 O HETATM 16 C12 UNL 1 -1.301 -1.241 1.001 1.00 0.00 C HETATM 17 O5 UNL 1 -2.270 -0.380 0.563 1.00 0.00 O HETATM 18 C13 UNL 1 -3.324 0.291 0.985 1.00 0.00 C HETATM 19 C14 UNL 1 -3.667 0.335 2.363 1.00 0.00 C HETATM 20 C15 UNL 1 -4.753 1.047 2.801 1.00 0.00 C HETATM 21 C16 UNL 1 -5.107 1.119 4.146 1.00 0.00 C HETATM 22 O6 UNL 1 -4.295 0.406 5.060 1.00 0.00 O HETATM 23 C17 UNL 1 -6.190 1.833 4.631 1.00 0.00 C HETATM 24 C18 UNL 1 -6.967 2.522 3.681 1.00 0.00 C HETATM 25 O7 UNL 1 -8.032 3.221 4.220 1.00 0.00 O HETATM 26 C19 UNL 1 -6.617 2.446 2.369 1.00 0.00 C HETATM 27 C20 UNL 1 -5.540 1.734 1.898 1.00 0.00 C HETATM 28 O8 UNL 1 -5.214 1.675 0.641 1.00 0.00 O1+ HETATM 29 C21 UNL 1 -4.159 0.990 0.170 1.00 0.00 C HETATM 30 C22 UNL 1 -3.986 1.042 -1.304 1.00 0.00 C HETATM 31 C23 UNL 1 -2.953 0.541 -1.978 1.00 0.00 C HETATM 32 C24 UNL 1 -2.898 0.564 -3.390 1.00 0.00 C HETATM 33 O9 UNL 1 -1.822 0.041 -4.086 1.00 0.00 O HETATM 34 C25 UNL 1 -3.920 1.110 -4.143 1.00 0.00 C HETATM 35 O10 UNL 1 -3.903 1.155 -5.531 1.00 0.00 O HETATM 36 C26 UNL 1 -5.022 1.643 -3.444 1.00 0.00 C HETATM 37 O11 UNL 1 -5.998 2.167 -4.217 1.00 0.00 O HETATM 38 C27 UNL 1 -5.049 1.608 -2.054 1.00 0.00 C HETATM 39 C28 UNL 1 -0.341 -0.663 2.018 1.00 0.00 C HETATM 40 O12 UNL 1 0.316 -1.751 2.650 1.00 0.00 O HETATM 41 C29 UNL 1 0.706 0.215 1.438 1.00 0.00 C HETATM 42 O13 UNL 1 0.382 1.580 1.651 1.00 0.00 O HETATM 43 C30 UNL 1 0.848 -0.001 -0.058 1.00 0.00 C HETATM 44 O14 UNL 1 2.104 0.422 -0.489 1.00 0.00 O HETATM 45 H1 UNL 1 5.155 -0.912 -2.036 1.00 0.00 H HETATM 46 H2 UNL 1 5.943 -2.649 0.287 1.00 0.00 H HETATM 47 H3 UNL 1 8.375 -2.641 0.674 1.00 0.00 H HETATM 48 H4 UNL 1 10.622 -1.928 0.211 1.00 0.00 H HETATM 49 H5 UNL 1 11.814 -0.768 -2.419 1.00 0.00 H HETATM 50 H6 UNL 1 9.146 0.546 -2.958 1.00 0.00 H HETATM 51 H7 UNL 1 6.898 -0.166 -2.485 1.00 0.00 H HETATM 52 H8 UNL 1 0.723 -1.315 -2.350 1.00 0.00 H HETATM 53 H9 UNL 1 0.972 -2.983 -1.768 1.00 0.00 H HETATM 54 H10 UNL 1 1.307 -1.996 0.591 1.00 0.00 H HETATM 55 H11 UNL 1 -1.800 -2.079 1.579 1.00 0.00 H HETATM 56 H12 UNL 1 -3.110 -0.203 3.074 1.00 0.00 H HETATM 57 H13 UNL 1 -4.566 0.473 6.030 1.00 0.00 H HETATM 58 H14 UNL 1 -6.421 1.844 5.678 1.00 0.00 H HETATM 59 H15 UNL 1 -8.929 2.773 4.325 1.00 0.00 H HETATM 60 H16 UNL 1 -7.225 2.985 1.629 1.00 0.00 H HETATM 61 H17 UNL 1 -2.109 0.100 -1.482 1.00 0.00 H HETATM 62 H18 UNL 1 -1.039 -0.355 -3.615 1.00 0.00 H HETATM 63 H19 UNL 1 -3.138 0.817 -6.087 1.00 0.00 H HETATM 64 H20 UNL 1 -6.828 2.590 -4.258 1.00 0.00 H HETATM 65 H21 UNL 1 -5.876 2.014 -1.522 1.00 0.00 H HETATM 66 H22 UNL 1 -0.881 -0.145 2.799 1.00 0.00 H HETATM 67 H23 UNL 1 -0.303 -2.463 2.882 1.00 0.00 H HETATM 68 H24 UNL 1 1.705 0.096 1.881 1.00 0.00 H HETATM 69 H25 UNL 1 0.063 1.692 2.605 1.00 0.00 H HETATM 70 H26 UNL 1 0.039 0.511 -0.614 1.00 0.00 H HETATM 71 H27 UNL 1 2.707 0.337 0.318 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 12 CONECT 3 4 4 45 CONECT 4 5 46 CONECT 5 6 6 11 CONECT 6 7 47 CONECT 7 8 8 48 CONECT 8 9 10 CONECT 9 49 CONECT 10 11 11 50 CONECT 11 51 CONECT 12 13 CONECT 13 14 52 53 CONECT 14 15 43 54 CONECT 15 16 CONECT 16 17 39 55 CONECT 17 18 CONECT 18 19 19 29 CONECT 19 20 56 CONECT 20 21 21 27 CONECT 21 22 23 CONECT 22 57 CONECT 23 24 24 58 CONECT 24 25 26 CONECT 25 59 CONECT 26 27 27 60 CONECT 27 28 CONECT 28 29 29 CONECT 29 30 CONECT 30 31 31 38 CONECT 31 32 61 CONECT 32 33 34 34 CONECT 33 62 CONECT 34 35 36 CONECT 35 63 CONECT 36 37 38 38 CONECT 37 64 CONECT 38 65 CONECT 39 40 41 66 CONECT 40 67 CONECT 41 42 43 68 CONECT 42 69 CONECT 43 44 70 CONECT 44 71 END