COMPND HMDB0303271 HETATM 1 C1 UNL 1 7.686 -1.290 4.145 1.00 0.00 C HETATM 2 C2 UNL 1 7.010 -0.511 2.989 1.00 0.00 C HETATM 3 C3 UNL 1 8.002 0.323 2.279 1.00 0.00 C HETATM 4 C4 UNL 1 7.498 1.169 1.190 1.00 0.00 C HETATM 5 C5 UNL 1 6.870 0.654 -0.015 1.00 0.00 C HETATM 6 C6 UNL 1 5.598 -0.120 0.031 1.00 0.00 C HETATM 7 C7 UNL 1 4.471 0.646 0.671 1.00 0.00 C HETATM 8 C8 UNL 1 4.012 1.872 0.034 1.00 0.00 C HETATM 9 C9 UNL 1 3.170 1.979 -1.142 1.00 0.00 C HETATM 10 C10 UNL 1 3.341 1.248 -2.397 1.00 0.00 C HETATM 11 C11 UNL 1 2.911 -0.184 -2.317 1.00 0.00 C HETATM 12 C12 UNL 1 1.395 -0.250 -1.968 1.00 0.00 C HETATM 13 C13 UNL 1 0.628 0.443 -3.019 1.00 0.00 C HETATM 14 C14 UNL 1 -0.833 0.555 -2.925 1.00 0.00 C HETATM 15 C15 UNL 1 -1.729 -0.596 -2.889 1.00 0.00 C HETATM 16 C16 UNL 1 -1.698 -1.559 -1.772 1.00 0.00 C HETATM 17 C17 UNL 1 -2.710 -2.690 -1.943 1.00 0.00 C HETATM 18 C18 UNL 1 -4.106 -2.135 -2.010 1.00 0.00 C HETATM 19 O1 UNL 1 -4.535 -1.626 -3.071 1.00 0.00 O HETATM 20 O2 UNL 1 -4.885 -2.202 -0.905 1.00 0.00 O HETATM 21 C19 UNL 1 -6.171 -1.752 -0.750 1.00 0.00 C HETATM 22 C20 UNL 1 -6.304 -0.268 -0.800 1.00 0.00 C HETATM 23 O3 UNL 1 -5.854 0.165 -2.079 1.00 0.00 O HETATM 24 C21 UNL 1 -5.350 0.329 0.178 1.00 0.00 C HETATM 25 O4 UNL 1 -5.509 0.123 1.473 1.00 0.00 O HETATM 26 C22 UNL 1 -6.475 0.548 2.245 1.00 0.00 C HETATM 27 C23 UNL 1 -7.889 0.161 2.073 1.00 0.00 C HETATM 28 O5 UNL 1 -8.106 -1.221 2.160 1.00 0.00 O HETATM 29 C24 UNL 1 -8.705 0.853 3.191 1.00 0.00 C HETATM 30 O6 UNL 1 -8.265 0.366 4.397 1.00 0.00 O HETATM 31 H1 UNL 1 8.250 -2.113 3.685 1.00 0.00 H HETATM 32 H2 UNL 1 8.322 -0.542 4.666 1.00 0.00 H HETATM 33 H3 UNL 1 6.845 -1.621 4.794 1.00 0.00 H HETATM 34 H4 UNL 1 6.273 0.128 3.482 1.00 0.00 H HETATM 35 H5 UNL 1 6.593 -1.321 2.372 1.00 0.00 H HETATM 36 H6 UNL 1 8.905 -0.278 1.948 1.00 0.00 H HETATM 37 H7 UNL 1 8.425 1.045 3.064 1.00 0.00 H HETATM 38 H8 UNL 1 8.426 1.764 0.824 1.00 0.00 H HETATM 39 H9 UNL 1 6.865 2.017 1.631 1.00 0.00 H HETATM 40 H10 UNL 1 7.609 -0.004 -0.570 1.00 0.00 H HETATM 41 H11 UNL 1 6.691 1.484 -0.783 1.00 0.00 H HETATM 42 H12 UNL 1 5.631 -1.130 0.438 1.00 0.00 H HETATM 43 H13 UNL 1 5.392 -0.311 -1.084 1.00 0.00 H HETATM 44 H14 UNL 1 4.764 0.790 1.752 1.00 0.00 H HETATM 45 H15 UNL 1 3.630 -0.119 0.764 1.00 0.00 H HETATM 46 H16 UNL 1 4.889 2.621 -0.082 1.00 0.00 H HETATM 47 H17 UNL 1 3.438 2.448 0.874 1.00 0.00 H HETATM 48 H18 UNL 1 2.060 1.894 -0.795 1.00 0.00 H HETATM 49 H19 UNL 1 3.140 3.128 -1.395 1.00 0.00 H HETATM 50 H20 UNL 1 4.450 1.257 -2.727 1.00 0.00 H HETATM 51 H21 UNL 1 2.876 1.817 -3.241 1.00 0.00 H HETATM 52 H22 UNL 1 2.941 -0.682 -3.319 1.00 0.00 H HETATM 53 H23 UNL 1 3.363 -0.802 -1.551 1.00 0.00 H HETATM 54 H24 UNL 1 1.242 -1.376 -1.989 1.00 0.00 H HETATM 55 H25 UNL 1 1.194 0.121 -0.972 1.00 0.00 H HETATM 56 H26 UNL 1 0.981 0.030 -4.006 1.00 0.00 H HETATM 57 H27 UNL 1 1.007 1.526 -3.090 1.00 0.00 H HETATM 58 H28 UNL 1 -1.062 1.238 -2.024 1.00 0.00 H HETATM 59 H29 UNL 1 -1.227 1.238 -3.767 1.00 0.00 H HETATM 60 H30 UNL 1 -1.750 -1.167 -3.883 1.00 0.00 H HETATM 61 H31 UNL 1 -2.794 -0.161 -2.893 1.00 0.00 H HETATM 62 H32 UNL 1 -0.761 -2.046 -1.549 1.00 0.00 H HETATM 63 H33 UNL 1 -2.015 -1.075 -0.791 1.00 0.00 H HETATM 64 H34 UNL 1 -2.553 -3.278 -2.845 1.00 0.00 H HETATM 65 H35 UNL 1 -2.575 -3.342 -1.059 1.00 0.00 H HETATM 66 H36 UNL 1 -6.849 -2.148 -1.564 1.00 0.00 H HETATM 67 H37 UNL 1 -6.562 -2.189 0.203 1.00 0.00 H HETATM 68 H38 UNL 1 -7.336 0.089 -0.761 1.00 0.00 H HETATM 69 H39 UNL 1 -5.294 0.957 -2.014 1.00 0.00 H HETATM 70 H40 UNL 1 -4.326 -0.106 -0.123 1.00 0.00 H HETATM 71 H41 UNL 1 -5.219 1.449 -0.041 1.00 0.00 H HETATM 72 H42 UNL 1 -6.204 0.300 3.340 1.00 0.00 H HETATM 73 H43 UNL 1 -6.482 1.699 2.249 1.00 0.00 H HETATM 74 H44 UNL 1 -8.361 0.520 1.152 1.00 0.00 H HETATM 75 H45 UNL 1 -9.048 -1.447 2.241 1.00 0.00 H HETATM 76 H46 UNL 1 -9.772 0.704 3.022 1.00 0.00 H HETATM 77 H47 UNL 1 -8.499 1.942 3.170 1.00 0.00 H HETATM 78 H48 UNL 1 -8.982 0.021 4.979 1.00 0.00 H CONECT 1 2 31 32 33 CONECT 2 3 34 35 CONECT 3 4 36 37 CONECT 4 5 38 39 CONECT 5 6 40 41 CONECT 6 7 42 43 CONECT 7 8 44 45 CONECT 8 9 46 47 CONECT 9 10 48 49 CONECT 10 11 50 51 CONECT 11 12 52 53 CONECT 12 13 54 55 CONECT 13 14 56 57 CONECT 14 15 58 59 CONECT 15 16 60 61 CONECT 16 17 62 63 CONECT 17 18 64 65 CONECT 18 19 19 20 CONECT 20 21 CONECT 21 22 66 67 CONECT 22 23 24 68 CONECT 23 69 CONECT 24 25 70 71 CONECT 25 26 CONECT 26 27 72 73 CONECT 27 28 29 74 CONECT 28 75 CONECT 29 30 76 77 CONECT 30 78 END