COMPND HMDB0032942 HETATM 1 C1 UNL 1 7.196 -2.467 -1.420 1.00 0.00 C HETATM 2 C2 UNL 1 7.168 -1.097 -0.789 1.00 0.00 C HETATM 3 C3 UNL 1 8.535 -0.809 -0.230 1.00 0.00 C HETATM 4 O1 UNL 1 8.794 -1.825 0.738 1.00 0.00 O HETATM 5 C4 UNL 1 8.738 0.540 0.353 1.00 0.00 C HETATM 6 O2 UNL 1 10.081 0.592 0.812 1.00 0.00 O HETATM 7 C5 UNL 1 8.627 1.628 -0.680 1.00 0.00 C HETATM 8 O3 UNL 1 7.361 1.750 -1.240 1.00 0.00 O HETATM 9 C6 UNL 1 8.955 2.999 -0.107 1.00 0.00 C HETATM 10 C7 UNL 1 10.363 3.062 0.418 1.00 0.00 C HETATM 11 C8 UNL 1 7.920 3.450 0.897 1.00 0.00 C HETATM 12 O4 UNL 1 8.903 3.927 -1.178 1.00 0.00 O HETATM 13 C9 UNL 1 6.130 -0.864 0.229 1.00 0.00 C HETATM 14 C10 UNL 1 6.149 -1.781 1.432 1.00 0.00 C HETATM 15 C11 UNL 1 4.710 -1.751 1.974 1.00 0.00 C HETATM 16 C12 UNL 1 4.063 -0.596 1.201 1.00 0.00 C HETATM 17 C13 UNL 1 4.560 0.652 1.840 1.00 0.00 C HETATM 18 C14 UNL 1 2.597 -0.731 1.050 1.00 0.00 C HETATM 19 C15 UNL 1 1.795 -0.363 2.278 1.00 0.00 C HETATM 20 C16 UNL 1 0.362 -0.605 1.980 1.00 0.00 C HETATM 21 C17 UNL 1 -0.162 -0.760 0.773 1.00 0.00 C HETATM 22 C18 UNL 1 0.692 -0.702 -0.421 1.00 0.00 C HETATM 23 C19 UNL 1 -0.078 -0.014 -1.529 1.00 0.00 C HETATM 24 C20 UNL 1 -1.266 -0.958 -1.784 1.00 0.00 C HETATM 25 C21 UNL 1 -2.231 -0.912 -0.627 1.00 0.00 C HETATM 26 O5 UNL 1 -3.113 -1.973 -0.793 1.00 0.00 O HETATM 27 C22 UNL 1 -4.402 -1.540 -1.112 1.00 0.00 C HETATM 28 O6 UNL 1 -5.349 -2.008 -0.249 1.00 0.00 O HETATM 29 C23 UNL 1 -6.640 -1.479 -0.438 1.00 0.00 C HETATM 30 C24 UNL 1 -6.797 -0.186 0.320 1.00 0.00 C HETATM 31 O7 UNL 1 -7.945 0.417 0.423 1.00 0.00 O HETATM 32 C25 UNL 1 -8.804 0.937 -0.411 1.00 0.00 C HETATM 33 O8 UNL 1 -8.991 2.336 -0.253 1.00 0.00 O HETATM 34 C26 UNL 1 -9.668 2.662 0.902 1.00 0.00 C HETATM 35 C27 UNL 1 -8.989 2.242 2.174 1.00 0.00 C HETATM 36 O9 UNL 1 -7.733 2.829 2.296 1.00 0.00 O HETATM 37 C28 UNL 1 -11.104 2.143 0.866 1.00 0.00 C HETATM 38 O10 UNL 1 -12.040 3.158 0.919 1.00 0.00 O HETATM 39 C29 UNL 1 -11.269 1.243 -0.344 1.00 0.00 C HETATM 40 O11 UNL 1 -11.246 2.011 -1.499 1.00 0.00 O HETATM 41 C30 UNL 1 -10.154 0.233 -0.299 1.00 0.00 C HETATM 42 O12 UNL 1 -10.378 -0.658 -1.338 1.00 0.00 O HETATM 43 C31 UNL 1 -6.828 -1.198 -1.927 1.00 0.00 C HETATM 44 O13 UNL 1 -6.263 -0.024 -2.350 1.00 0.00 O HETATM 45 C32 UNL 1 -6.143 -2.381 -2.671 1.00 0.00 C HETATM 46 O14 UNL 1 -6.414 -3.569 -2.002 1.00 0.00 O HETATM 47 C33 UNL 1 -4.663 -2.093 -2.504 1.00 0.00 C HETATM 48 O15 UNL 1 -4.345 -1.129 -3.460 1.00 0.00 O HETATM 49 C34 UNL 1 -1.635 -0.981 0.720 1.00 0.00 C HETATM 50 C35 UNL 1 -1.916 -2.278 1.458 1.00 0.00 C HETATM 51 C36 UNL 1 -2.269 0.134 1.562 1.00 0.00 C HETATM 52 C37 UNL 1 1.995 -0.002 -0.102 1.00 0.00 C HETATM 53 C38 UNL 1 1.608 1.426 0.305 1.00 0.00 C HETATM 54 C39 UNL 1 2.822 0.083 -1.344 1.00 0.00 C HETATM 55 C40 UNL 1 4.300 0.205 -1.121 1.00 0.00 C HETATM 56 C41 UNL 1 4.707 -0.870 -0.165 1.00 0.00 C HETATM 57 C42 UNL 1 4.273 -2.187 -0.678 1.00 0.00 C HETATM 58 H1 UNL 1 6.739 -3.263 -0.830 1.00 0.00 H HETATM 59 H2 UNL 1 8.293 -2.768 -1.472 1.00 0.00 H HETATM 60 H3 UNL 1 6.914 -2.462 -2.506 1.00 0.00 H HETATM 61 H4 UNL 1 6.959 -0.401 -1.645 1.00 0.00 H HETATM 62 H5 UNL 1 9.328 -0.982 -1.006 1.00 0.00 H HETATM 63 H6 UNL 1 9.091 -1.464 1.588 1.00 0.00 H HETATM 64 H7 UNL 1 8.135 0.747 1.265 1.00 0.00 H HETATM 65 H8 UNL 1 10.469 -0.295 0.658 1.00 0.00 H HETATM 66 H9 UNL 1 9.362 1.421 -1.475 1.00 0.00 H HETATM 67 H10 UNL 1 7.382 1.921 -2.210 1.00 0.00 H HETATM 68 H11 UNL 1 10.999 2.430 -0.236 1.00 0.00 H HETATM 69 H12 UNL 1 10.482 2.759 1.462 1.00 0.00 H HETATM 70 H13 UNL 1 10.717 4.123 0.370 1.00 0.00 H HETATM 71 H14 UNL 1 8.166 3.111 1.929 1.00 0.00 H HETATM 72 H15 UNL 1 7.832 4.552 0.834 1.00 0.00 H HETATM 73 H16 UNL 1 6.946 3.044 0.545 1.00 0.00 H HETATM 74 H17 UNL 1 8.823 3.442 -2.050 1.00 0.00 H HETATM 75 H18 UNL 1 6.312 0.169 0.691 1.00 0.00 H HETATM 76 H19 UNL 1 6.789 -1.389 2.240 1.00 0.00 H HETATM 77 H20 UNL 1 6.349 -2.829 1.162 1.00 0.00 H HETATM 78 H21 UNL 1 4.189 -2.695 1.871 1.00 0.00 H HETATM 79 H22 UNL 1 4.703 -1.508 3.070 1.00 0.00 H HETATM 80 H23 UNL 1 5.481 0.464 2.472 1.00 0.00 H HETATM 81 H24 UNL 1 3.810 0.978 2.609 1.00 0.00 H HETATM 82 H25 UNL 1 4.824 1.466 1.156 1.00 0.00 H HETATM 83 H26 UNL 1 2.390 -1.836 0.912 1.00 0.00 H HETATM 84 H27 UNL 1 1.852 0.732 2.525 1.00 0.00 H HETATM 85 H28 UNL 1 2.099 -0.999 3.133 1.00 0.00 H HETATM 86 H29 UNL 1 -0.285 -0.655 2.880 1.00 0.00 H HETATM 87 H30 UNL 1 0.885 -1.742 -0.769 1.00 0.00 H HETATM 88 H31 UNL 1 -0.457 0.972 -1.246 1.00 0.00 H HETATM 89 H32 UNL 1 0.523 -0.035 -2.457 1.00 0.00 H HETATM 90 H33 UNL 1 -1.760 -0.619 -2.700 1.00 0.00 H HETATM 91 H34 UNL 1 -0.910 -1.982 -1.913 1.00 0.00 H HETATM 92 H35 UNL 1 -2.831 0.031 -0.789 1.00 0.00 H HETATM 93 H36 UNL 1 -4.385 -0.447 -1.156 1.00 0.00 H HETATM 94 H37 UNL 1 -7.380 -2.236 -0.149 1.00 0.00 H HETATM 95 H38 UNL 1 -6.451 -0.463 1.388 1.00 0.00 H HETATM 96 H39 UNL 1 -5.972 0.536 -0.005 1.00 0.00 H HETATM 97 H40 UNL 1 -8.531 0.844 -1.476 1.00 0.00 H HETATM 98 H41 UNL 1 -9.746 3.769 0.913 1.00 0.00 H HETATM 99 H42 UNL 1 -8.983 1.166 2.361 1.00 0.00 H HETATM 100 H43 UNL 1 -9.603 2.701 3.006 1.00 0.00 H HETATM 101 H44 UNL 1 -7.663 3.678 1.828 1.00 0.00 H HETATM 102 H45 UNL 1 -11.246 1.502 1.759 1.00 0.00 H HETATM 103 H46 UNL 1 -12.473 3.186 0.017 1.00 0.00 H HETATM 104 H47 UNL 1 -12.224 0.701 -0.200 1.00 0.00 H HETATM 105 H48 UNL 1 -11.935 1.750 -2.130 1.00 0.00 H HETATM 106 H49 UNL 1 -10.258 -0.339 0.637 1.00 0.00 H HETATM 107 H50 UNL 1 -10.083 -1.577 -1.117 1.00 0.00 H HETATM 108 H51 UNL 1 -7.876 -1.302 -2.176 1.00 0.00 H HETATM 109 H52 UNL 1 -6.722 0.266 -3.176 1.00 0.00 H HETATM 110 H53 UNL 1 -6.462 -2.384 -3.710 1.00 0.00 H HETATM 111 H54 UNL 1 -7.383 -3.758 -2.065 1.00 0.00 H HETATM 112 H55 UNL 1 -4.093 -3.028 -2.672 1.00 0.00 H HETATM 113 H56 UNL 1 -3.943 -1.506 -4.262 1.00 0.00 H HETATM 114 H57 UNL 1 -2.108 -2.077 2.541 1.00 0.00 H HETATM 115 H58 UNL 1 -2.763 -2.824 1.049 1.00 0.00 H HETATM 116 H59 UNL 1 -1.037 -2.959 1.456 1.00 0.00 H HETATM 117 H60 UNL 1 -2.860 0.824 0.914 1.00 0.00 H HETATM 118 H61 UNL 1 -1.507 0.747 2.083 1.00 0.00 H HETATM 119 H62 UNL 1 -2.961 -0.276 2.315 1.00 0.00 H HETATM 120 H63 UNL 1 0.589 1.481 0.724 1.00 0.00 H HETATM 121 H64 UNL 1 2.364 1.905 0.936 1.00 0.00 H HETATM 122 H65 UNL 1 1.564 2.011 -0.646 1.00 0.00 H HETATM 123 H66 UNL 1 2.587 -0.730 -2.079 1.00 0.00 H HETATM 124 H67 UNL 1 2.516 1.025 -1.891 1.00 0.00 H HETATM 125 H68 UNL 1 4.796 -0.044 -2.105 1.00 0.00 H HETATM 126 H69 UNL 1 4.640 1.208 -0.866 1.00 0.00 H HETATM 127 H70 UNL 1 3.179 -2.259 -0.880 1.00 0.00 H HETATM 128 H71 UNL 1 4.726 -2.330 -1.702 1.00 0.00 H HETATM 129 H72 UNL 1 4.522 -3.066 -0.086 1.00 0.00 H CONECT 1 2 58 59 60 CONECT 2 3 13 61 CONECT 3 4 5 62 CONECT 4 63 CONECT 5 6 7 64 CONECT 6 65 CONECT 7 8 9 66 CONECT 8 67 CONECT 9 10 11 12 CONECT 10 68 69 70 CONECT 11 71 72 73 CONECT 12 74 CONECT 13 14 56 75 CONECT 14 15 76 77 CONECT 15 16 78 79 CONECT 16 17 18 56 CONECT 17 80 81 82 CONECT 18 19 52 83 CONECT 19 20 84 85 CONECT 20 21 21 86 CONECT 21 22 49 CONECT 22 23 52 87 CONECT 23 24 88 89 CONECT 24 25 90 91 CONECT 25 26 49 92 CONECT 26 27 CONECT 27 28 47 93 CONECT 28 29 CONECT 29 30 43 94 CONECT 30 31 95 96 CONECT 31 32 CONECT 32 33 41 97 CONECT 33 34 CONECT 34 35 37 98 CONECT 35 36 99 100 CONECT 36 101 CONECT 37 38 39 102 CONECT 38 103 CONECT 39 40 41 104 CONECT 40 105 CONECT 41 42 106 CONECT 42 107 CONECT 43 44 45 108 CONECT 44 109 CONECT 45 46 47 110 CONECT 46 111 CONECT 47 48 112 CONECT 48 113 CONECT 49 50 51 CONECT 50 114 115 116 CONECT 51 117 118 119 CONECT 52 53 54 CONECT 53 120 121 122 CONECT 54 55 123 124 CONECT 55 56 125 126 CONECT 56 57 CONECT 57 127 128 129 END