COMPND HMDB0039696 HETATM 1 C1 UNL 1 -1.508 2.255 -1.671 1.00 0.00 C HETATM 2 C2 UNL 1 -2.682 1.523 -1.110 1.00 0.00 C HETATM 3 C3 UNL 1 -3.288 0.555 -2.026 1.00 0.00 C HETATM 4 O1 UNL 1 -3.041 0.629 -3.268 1.00 0.00 O HETATM 5 O2 UNL 1 -4.125 -0.433 -1.554 1.00 0.00 O HETATM 6 C4 UNL 1 -3.902 -0.957 -0.256 1.00 0.00 C HETATM 7 C5 UNL 1 -3.708 0.246 0.620 1.00 0.00 C HETATM 8 C6 UNL 1 -2.415 0.973 0.292 1.00 0.00 C HETATM 9 C7 UNL 1 -2.458 2.186 1.186 1.00 0.00 C HETATM 10 C8 UNL 1 -1.171 0.139 0.349 1.00 0.00 C HETATM 11 C9 UNL 1 -0.248 0.401 1.467 1.00 0.00 C HETATM 12 O3 UNL 1 -0.283 1.682 2.006 1.00 0.00 O HETATM 13 C10 UNL 1 -0.888 -0.463 2.533 1.00 0.00 C HETATM 14 O4 UNL 1 -0.474 -0.606 3.713 1.00 0.00 O HETATM 15 O5 UNL 1 -2.022 -1.069 1.957 1.00 0.00 O HETATM 16 C11 UNL 1 -1.554 -1.285 0.604 1.00 0.00 C HETATM 17 C12 UNL 1 -0.607 -2.368 0.707 1.00 0.00 C HETATM 18 O6 UNL 1 -0.487 -2.855 2.066 1.00 0.00 O HETATM 19 C13 UNL 1 0.672 -2.478 0.085 1.00 0.00 C HETATM 20 C14 UNL 1 1.359 -1.446 -0.717 1.00 0.00 C HETATM 21 C15 UNL 1 1.674 -0.123 -0.094 1.00 0.00 C HETATM 22 C16 UNL 1 1.203 0.048 1.275 1.00 0.00 C HETATM 23 C17 UNL 1 2.018 0.941 2.118 1.00 0.00 C HETATM 24 C18 UNL 1 3.035 1.669 1.758 1.00 0.00 C HETATM 25 C19 UNL 1 3.401 1.572 0.330 1.00 0.00 C HETATM 26 C20 UNL 1 3.913 2.604 -0.294 1.00 0.00 C HETATM 27 C21 UNL 1 4.287 2.557 -1.700 1.00 0.00 C HETATM 28 C22 UNL 1 4.091 1.422 -2.338 1.00 0.00 C HETATM 29 C23 UNL 1 3.528 0.238 -1.711 1.00 0.00 C HETATM 30 O7 UNL 1 3.389 -0.764 -2.446 1.00 0.00 O HETATM 31 C24 UNL 1 3.139 0.229 -0.263 1.00 0.00 C HETATM 32 C25 UNL 1 4.043 -0.753 0.447 1.00 0.00 C HETATM 33 C26 UNL 1 -1.491 -3.542 0.252 1.00 0.00 C HETATM 34 O8 UNL 1 -1.039 -4.701 -0.007 1.00 0.00 O HETATM 35 O9 UNL 1 -2.802 -3.095 0.191 1.00 0.00 O HETATM 36 C27 UNL 1 -2.660 -1.767 -0.285 1.00 0.00 C HETATM 37 C28 UNL 1 -2.149 -1.910 -1.703 1.00 0.00 C HETATM 38 H1 UNL 1 -0.746 2.535 -0.935 1.00 0.00 H HETATM 39 H2 UNL 1 -1.819 3.189 -2.184 1.00 0.00 H HETATM 40 H3 UNL 1 -1.081 1.604 -2.490 1.00 0.00 H HETATM 41 H4 UNL 1 -3.489 2.304 -0.955 1.00 0.00 H HETATM 42 H5 UNL 1 -4.796 -1.496 0.111 1.00 0.00 H HETATM 43 H6 UNL 1 -4.525 0.973 0.295 1.00 0.00 H HETATM 44 H7 UNL 1 -3.932 0.131 1.675 1.00 0.00 H HETATM 45 H8 UNL 1 -1.801 3.007 0.902 1.00 0.00 H HETATM 46 H9 UNL 1 -2.554 1.965 2.262 1.00 0.00 H HETATM 47 H10 UNL 1 -3.490 2.624 0.958 1.00 0.00 H HETATM 48 H11 UNL 1 -0.683 0.308 -0.603 1.00 0.00 H HETATM 49 H12 UNL 1 0.454 2.247 1.728 1.00 0.00 H HETATM 50 H13 UNL 1 0.287 -3.488 2.098 1.00 0.00 H HETATM 51 H14 UNL 1 1.446 -2.826 0.852 1.00 0.00 H HETATM 52 H15 UNL 1 0.700 -3.393 -0.601 1.00 0.00 H HETATM 53 H16 UNL 1 2.367 -1.936 -0.920 1.00 0.00 H HETATM 54 H17 UNL 1 0.935 -1.415 -1.735 1.00 0.00 H HETATM 55 H18 UNL 1 1.196 0.667 -0.759 1.00 0.00 H HETATM 56 H19 UNL 1 1.400 -0.955 1.792 1.00 0.00 H HETATM 57 H20 UNL 1 1.719 0.991 3.185 1.00 0.00 H HETATM 58 H21 UNL 1 3.620 2.330 2.388 1.00 0.00 H HETATM 59 H22 UNL 1 4.053 3.521 0.296 1.00 0.00 H HETATM 60 H23 UNL 1 4.708 3.439 -2.172 1.00 0.00 H HETATM 61 H24 UNL 1 4.365 1.371 -3.385 1.00 0.00 H HETATM 62 H25 UNL 1 3.607 -1.720 0.668 1.00 0.00 H HETATM 63 H26 UNL 1 4.941 -0.911 -0.184 1.00 0.00 H HETATM 64 H27 UNL 1 4.453 -0.305 1.401 1.00 0.00 H HETATM 65 H28 UNL 1 -3.037 -1.961 -2.365 1.00 0.00 H HETATM 66 H29 UNL 1 -1.423 -1.152 -1.980 1.00 0.00 H HETATM 67 H30 UNL 1 -1.628 -2.901 -1.858 1.00 0.00 H CONECT 1 2 38 39 40 CONECT 2 3 8 41 CONECT 3 4 4 5 CONECT 5 6 CONECT 6 7 36 42 CONECT 7 8 43 44 CONECT 8 9 10 CONECT 9 45 46 47 CONECT 10 11 16 48 CONECT 11 12 13 22 CONECT 12 49 CONECT 13 14 14 15 CONECT 15 16 CONECT 16 17 36 CONECT 17 18 19 33 CONECT 18 50 CONECT 19 20 51 52 CONECT 20 21 53 54 CONECT 21 22 31 55 CONECT 22 23 56 CONECT 23 24 24 57 CONECT 24 25 58 CONECT 25 26 26 31 CONECT 26 27 59 CONECT 27 28 28 60 CONECT 28 29 61 CONECT 29 30 30 31 CONECT 31 32 CONECT 32 62 63 64 CONECT 33 34 34 35 CONECT 35 36 CONECT 36 37 CONECT 37 65 66 67 END