COMPND HMDB0029485 HETATM 1 C1 UNL 1 -6.803 -2.881 1.560 1.00 0.00 C HETATM 2 C2 UNL 1 -5.515 -2.987 0.831 1.00 0.00 C HETATM 3 C3 UNL 1 -5.518 -3.455 -0.569 1.00 0.00 C HETATM 4 C4 UNL 1 -4.394 -2.690 1.453 1.00 0.00 C HETATM 5 C5 UNL 1 -3.118 -2.789 0.740 1.00 0.00 C HETATM 6 C6 UNL 1 -2.216 -1.604 0.826 1.00 0.00 C HETATM 7 C7 UNL 1 -0.972 -1.923 0.029 1.00 0.00 C HETATM 8 C8 UNL 1 0.030 -0.821 0.052 1.00 0.00 C HETATM 9 C9 UNL 1 0.920 -0.964 -1.155 1.00 0.00 C HETATM 10 C10 UNL 1 2.269 -1.440 -0.702 1.00 0.00 C HETATM 11 C11 UNL 1 3.003 -2.215 -1.746 1.00 0.00 C HETATM 12 C12 UNL 1 3.272 -1.527 -2.987 1.00 0.00 C HETATM 13 C13 UNL 1 4.430 -1.407 -3.526 1.00 0.00 C HETATM 14 C14 UNL 1 5.670 -1.958 -2.959 1.00 0.00 C HETATM 15 C15 UNL 1 4.570 -0.663 -4.816 1.00 0.00 C HETATM 16 C16 UNL 1 2.974 -0.374 0.025 1.00 0.00 C HETATM 17 C17 UNL 1 3.324 0.835 -0.793 1.00 0.00 C HETATM 18 C18 UNL 1 4.298 -0.949 0.557 1.00 0.00 C HETATM 19 C19 UNL 1 2.085 0.027 1.225 1.00 0.00 C HETATM 20 C20 UNL 1 2.860 -0.002 2.524 1.00 0.00 C HETATM 21 C21 UNL 1 1.997 0.404 3.659 1.00 0.00 C HETATM 22 C22 UNL 1 2.327 1.358 4.504 1.00 0.00 C HETATM 23 C23 UNL 1 3.593 2.129 4.422 1.00 0.00 C HETATM 24 C24 UNL 1 1.390 1.706 5.622 1.00 0.00 C HETATM 25 C25 UNL 1 1.514 1.401 1.027 1.00 0.00 C HETATM 26 O1 UNL 1 2.086 2.374 1.571 1.00 0.00 O HETATM 27 C26 UNL 1 0.289 1.565 0.191 1.00 0.00 C HETATM 28 C27 UNL 1 0.032 2.838 -0.412 1.00 0.00 C HETATM 29 O2 UNL 1 0.872 3.768 -0.021 1.00 0.00 O HETATM 30 C28 UNL 1 -0.973 3.240 -1.352 1.00 0.00 C HETATM 31 C29 UNL 1 -1.723 2.382 -2.090 1.00 0.00 C HETATM 32 C30 UNL 1 -2.716 2.872 -2.908 1.00 0.00 C HETATM 33 C31 UNL 1 -2.977 4.227 -3.008 1.00 0.00 C HETATM 34 O3 UNL 1 -3.973 4.687 -3.832 1.00 0.00 O HETATM 35 C32 UNL 1 -2.228 5.118 -2.272 1.00 0.00 C HETATM 36 O4 UNL 1 -2.479 6.491 -2.363 1.00 0.00 O HETATM 37 C33 UNL 1 -1.236 4.622 -1.453 1.00 0.00 C HETATM 38 C34 UNL 1 -0.559 0.517 0.156 1.00 0.00 C HETATM 39 O5 UNL 1 -1.899 0.713 0.222 1.00 0.00 O HETATM 40 C35 UNL 1 -2.852 -0.325 0.467 1.00 0.00 C HETATM 41 C36 UNL 1 -3.626 0.156 1.703 1.00 0.00 C HETATM 42 C37 UNL 1 -3.809 -0.323 -0.666 1.00 0.00 C HETATM 43 C38 UNL 1 0.919 -0.897 1.294 1.00 0.00 C HETATM 44 O6 UNL 1 0.677 -1.632 2.209 1.00 0.00 O HETATM 45 H1 UNL 1 -7.637 -3.387 1.018 1.00 0.00 H HETATM 46 H2 UNL 1 -6.747 -3.373 2.563 1.00 0.00 H HETATM 47 H3 UNL 1 -7.129 -1.816 1.677 1.00 0.00 H HETATM 48 H4 UNL 1 -6.550 -3.838 -0.840 1.00 0.00 H HETATM 49 H5 UNL 1 -4.836 -4.357 -0.620 1.00 0.00 H HETATM 50 H6 UNL 1 -5.220 -2.694 -1.302 1.00 0.00 H HETATM 51 H7 UNL 1 -4.449 -2.372 2.506 1.00 0.00 H HETATM 52 H8 UNL 1 -3.256 -3.138 -0.307 1.00 0.00 H HETATM 53 H9 UNL 1 -2.555 -3.641 1.231 1.00 0.00 H HETATM 54 H10 UNL 1 -1.847 -1.590 1.907 1.00 0.00 H HETATM 55 H11 UNL 1 -1.280 -2.184 -1.002 1.00 0.00 H HETATM 56 H12 UNL 1 -0.518 -2.830 0.474 1.00 0.00 H HETATM 57 H13 UNL 1 0.495 -1.644 -1.921 1.00 0.00 H HETATM 58 H14 UNL 1 1.060 0.016 -1.659 1.00 0.00 H HETATM 59 H15 UNL 1 2.032 -2.226 0.090 1.00 0.00 H HETATM 60 H16 UNL 1 2.311 -3.077 -2.004 1.00 0.00 H HETATM 61 H17 UNL 1 3.850 -2.711 -1.244 1.00 0.00 H HETATM 62 H18 UNL 1 2.402 -1.078 -3.495 1.00 0.00 H HETATM 63 H19 UNL 1 5.482 -2.869 -2.363 1.00 0.00 H HETATM 64 H20 UNL 1 6.327 -2.298 -3.812 1.00 0.00 H HETATM 65 H21 UNL 1 6.228 -1.227 -2.335 1.00 0.00 H HETATM 66 H22 UNL 1 4.969 -1.415 -5.557 1.00 0.00 H HETATM 67 H23 UNL 1 3.574 -0.381 -5.202 1.00 0.00 H HETATM 68 H24 UNL 1 5.266 0.192 -4.736 1.00 0.00 H HETATM 69 H25 UNL 1 4.380 1.171 -0.590 1.00 0.00 H HETATM 70 H26 UNL 1 2.700 1.723 -0.583 1.00 0.00 H HETATM 71 H27 UNL 1 3.271 0.674 -1.881 1.00 0.00 H HETATM 72 H28 UNL 1 4.781 -0.134 1.126 1.00 0.00 H HETATM 73 H29 UNL 1 4.157 -1.883 1.104 1.00 0.00 H HETATM 74 H30 UNL 1 4.953 -1.076 -0.344 1.00 0.00 H HETATM 75 H31 UNL 1 3.636 0.793 2.445 1.00 0.00 H HETATM 76 H32 UNL 1 3.279 -1.014 2.688 1.00 0.00 H HETATM 77 H33 UNL 1 1.042 -0.100 3.815 1.00 0.00 H HETATM 78 H34 UNL 1 3.525 3.015 3.767 1.00 0.00 H HETATM 79 H35 UNL 1 3.854 2.523 5.450 1.00 0.00 H HETATM 80 H36 UNL 1 4.460 1.501 4.123 1.00 0.00 H HETATM 81 H37 UNL 1 2.006 1.975 6.493 1.00 0.00 H HETATM 82 H38 UNL 1 0.726 0.838 5.812 1.00 0.00 H HETATM 83 H39 UNL 1 0.775 2.580 5.346 1.00 0.00 H HETATM 84 H40 UNL 1 -1.548 1.338 -2.104 1.00 0.00 H HETATM 85 H41 UNL 1 -3.323 2.194 -3.501 1.00 0.00 H HETATM 86 H42 UNL 1 -4.173 5.667 -3.914 1.00 0.00 H HETATM 87 H43 UNL 1 -1.960 7.174 -1.847 1.00 0.00 H HETATM 88 H44 UNL 1 -0.649 5.309 -0.875 1.00 0.00 H HETATM 89 H45 UNL 1 -4.680 -0.127 1.659 1.00 0.00 H HETATM 90 H46 UNL 1 -3.564 1.242 1.830 1.00 0.00 H HETATM 91 H47 UNL 1 -3.194 -0.293 2.633 1.00 0.00 H HETATM 92 H48 UNL 1 -3.825 0.706 -1.119 1.00 0.00 H HETATM 93 H49 UNL 1 -4.879 -0.460 -0.342 1.00 0.00 H HETATM 94 H50 UNL 1 -3.533 -0.999 -1.496 1.00 0.00 H CONECT 1 2 45 46 47 CONECT 2 3 4 4 CONECT 3 48 49 50 CONECT 4 5 51 CONECT 5 6 52 53 CONECT 6 7 40 54 CONECT 7 8 55 56 CONECT 8 9 38 43 CONECT 9 10 57 58 CONECT 10 11 16 59 CONECT 11 12 60 61 CONECT 12 13 13 62 CONECT 13 14 15 CONECT 14 63 64 65 CONECT 15 66 67 68 CONECT 16 17 18 19 CONECT 17 69 70 71 CONECT 18 72 73 74 CONECT 19 20 25 43 CONECT 20 21 75 76 CONECT 21 22 22 77 CONECT 22 23 24 CONECT 23 78 79 80 CONECT 24 81 82 83 CONECT 25 26 26 27 CONECT 27 28 38 38 CONECT 28 29 29 30 CONECT 30 31 31 37 CONECT 31 32 84 CONECT 32 33 33 85 CONECT 33 34 35 CONECT 34 86 CONECT 35 36 37 37 CONECT 36 87 CONECT 37 88 CONECT 38 39 CONECT 39 40 CONECT 40 41 42 CONECT 41 89 90 91 CONECT 42 92 93 94 CONECT 43 44 44 END