COMPND HMDB0039184 HETATM 1 C1 UNL 1 0.377 -3.175 0.472 1.00 0.00 C HETATM 2 O1 UNL 1 0.609 -1.973 -0.194 1.00 0.00 O HETATM 3 C2 UNL 1 0.184 -2.027 -1.516 1.00 0.00 C HETATM 4 O2 UNL 1 1.228 -1.905 -2.389 1.00 0.00 O HETATM 5 C3 UNL 1 1.421 -0.671 -2.942 1.00 0.00 C HETATM 6 C4 UNL 1 2.881 -0.422 -3.253 1.00 0.00 C HETATM 7 O3 UNL 1 3.671 -0.495 -2.063 1.00 0.00 O HETATM 8 C5 UNL 1 5.041 -0.297 -2.126 1.00 0.00 C HETATM 9 O4 UNL 1 5.576 -0.054 -3.241 1.00 0.00 O HETATM 10 C6 UNL 1 5.880 -0.365 -0.928 1.00 0.00 C HETATM 11 C7 UNL 1 7.238 -0.165 -1.021 1.00 0.00 C HETATM 12 C8 UNL 1 8.067 -0.217 0.071 1.00 0.00 C HETATM 13 O5 UNL 1 9.432 -0.007 -0.085 1.00 0.00 O HETATM 14 C9 UNL 1 7.498 -0.481 1.296 1.00 0.00 C HETATM 15 O6 UNL 1 8.325 -0.537 2.412 1.00 0.00 O HETATM 16 C10 UNL 1 6.144 -0.690 1.453 1.00 0.00 C HETATM 17 O7 UNL 1 5.602 -0.950 2.680 1.00 0.00 O HETATM 18 C11 UNL 1 5.354 -0.624 0.306 1.00 0.00 C HETATM 19 C12 UNL 1 0.950 0.451 -2.050 1.00 0.00 C HETATM 20 O8 UNL 1 1.561 0.407 -0.797 1.00 0.00 O HETATM 21 C13 UNL 1 -0.557 0.338 -1.959 1.00 0.00 C HETATM 22 O9 UNL 1 -0.980 1.177 -0.899 1.00 0.00 O HETATM 23 C14 UNL 1 -1.774 2.281 -1.070 1.00 0.00 C HETATM 24 O10 UNL 1 -2.145 2.561 -2.238 1.00 0.00 O HETATM 25 C15 UNL 1 -2.210 3.145 0.024 1.00 0.00 C HETATM 26 C16 UNL 1 -3.008 4.245 -0.208 1.00 0.00 C HETATM 27 C17 UNL 1 -3.427 5.070 0.822 1.00 0.00 C HETATM 28 O11 UNL 1 -4.235 6.178 0.556 1.00 0.00 O HETATM 29 C18 UNL 1 -3.057 4.819 2.124 1.00 0.00 C HETATM 30 O12 UNL 1 -3.483 5.658 3.169 1.00 0.00 O HETATM 31 C19 UNL 1 -2.259 3.723 2.367 1.00 0.00 C HETATM 32 O13 UNL 1 -1.899 3.492 3.696 1.00 0.00 O HETATM 33 C20 UNL 1 -1.850 2.910 1.335 1.00 0.00 C HETATM 34 C21 UNL 1 -0.973 -1.094 -1.781 1.00 0.00 C HETATM 35 O14 UNL 1 -1.864 -1.239 -0.695 1.00 0.00 O HETATM 36 C22 UNL 1 -3.122 -1.788 -0.888 1.00 0.00 C HETATM 37 O15 UNL 1 -3.429 -2.147 -2.066 1.00 0.00 O HETATM 38 C23 UNL 1 -4.083 -1.965 0.179 1.00 0.00 C HETATM 39 C24 UNL 1 -5.310 -2.514 -0.078 1.00 0.00 C HETATM 40 C25 UNL 1 -6.255 -2.694 0.943 1.00 0.00 C HETATM 41 O16 UNL 1 -7.496 -3.244 0.711 1.00 0.00 O HETATM 42 C26 UNL 1 -5.923 -2.307 2.207 1.00 0.00 C HETATM 43 O17 UNL 1 -6.841 -2.471 3.252 1.00 0.00 O HETATM 44 C27 UNL 1 -4.690 -1.754 2.473 1.00 0.00 C HETATM 45 O18 UNL 1 -4.422 -1.383 3.785 1.00 0.00 O HETATM 46 C28 UNL 1 -3.749 -1.576 1.452 1.00 0.00 C HETATM 47 H1 UNL 1 -0.723 -3.382 0.451 1.00 0.00 H HETATM 48 H2 UNL 1 0.875 -3.992 -0.125 1.00 0.00 H HETATM 49 H3 UNL 1 0.720 -3.163 1.509 1.00 0.00 H HETATM 50 H4 UNL 1 -0.237 -3.064 -1.667 1.00 0.00 H HETATM 51 H5 UNL 1 0.875 -0.563 -3.907 1.00 0.00 H HETATM 52 H6 UNL 1 2.980 0.594 -3.726 1.00 0.00 H HETATM 53 H7 UNL 1 3.205 -1.144 -4.016 1.00 0.00 H HETATM 54 H8 UNL 1 7.688 0.043 -1.987 1.00 0.00 H HETATM 55 H9 UNL 1 9.812 0.183 -0.997 1.00 0.00 H HETATM 56 H10 UNL 1 9.318 -0.394 2.361 1.00 0.00 H HETATM 57 H11 UNL 1 4.609 -1.098 2.762 1.00 0.00 H HETATM 58 H12 UNL 1 4.291 -0.781 0.382 1.00 0.00 H HETATM 59 H13 UNL 1 1.200 1.417 -2.562 1.00 0.00 H HETATM 60 H14 UNL 1 0.993 0.794 -0.087 1.00 0.00 H HETATM 61 H15 UNL 1 -0.951 0.690 -2.941 1.00 0.00 H HETATM 62 H16 UNL 1 -3.308 4.452 -1.245 1.00 0.00 H HETATM 63 H17 UNL 1 -4.543 6.778 1.282 1.00 0.00 H HETATM 64 H18 UNL 1 -3.217 5.482 4.124 1.00 0.00 H HETATM 65 H19 UNL 1 -1.319 2.719 3.987 1.00 0.00 H HETATM 66 H20 UNL 1 -1.231 2.064 1.546 1.00 0.00 H HETATM 67 H21 UNL 1 -1.483 -1.481 -2.685 1.00 0.00 H HETATM 68 H22 UNL 1 -5.630 -2.840 -1.062 1.00 0.00 H HETATM 69 H23 UNL 1 -7.840 -3.561 -0.181 1.00 0.00 H HETATM 70 H24 UNL 1 -7.756 -2.873 3.101 1.00 0.00 H HETATM 71 H25 UNL 1 -3.521 -0.972 4.017 1.00 0.00 H HETATM 72 H26 UNL 1 -2.808 -1.136 1.741 1.00 0.00 H CONECT 1 2 47 48 49 CONECT 2 3 CONECT 3 4 34 50 CONECT 4 5 CONECT 5 6 19 51 CONECT 6 7 52 53 CONECT 7 8 CONECT 8 9 9 10 CONECT 10 11 11 18 CONECT 11 12 54 CONECT 12 13 14 14 CONECT 13 55 CONECT 14 15 16 CONECT 15 56 CONECT 16 17 18 18 CONECT 17 57 CONECT 18 58 CONECT 19 20 21 59 CONECT 20 60 CONECT 21 22 34 61 CONECT 22 23 CONECT 23 24 24 25 CONECT 25 26 26 33 CONECT 26 27 62 CONECT 27 28 29 29 CONECT 28 63 CONECT 29 30 31 CONECT 30 64 CONECT 31 32 33 33 CONECT 32 65 CONECT 33 66 CONECT 34 35 67 CONECT 35 36 CONECT 36 37 37 38 CONECT 38 39 39 46 CONECT 39 40 68 CONECT 40 41 42 42 CONECT 41 69 CONECT 42 43 44 CONECT 43 70 CONECT 44 45 46 46 CONECT 45 71 CONECT 46 72 END