COMPND HMDB0290875 HETATM 1 C1 UNL 1 1.529 -4.692 -1.475 1.00 0.00 C HETATM 2 C2 UNL 1 0.284 -5.055 -0.644 1.00 0.00 C HETATM 3 C3 UNL 1 0.630 -6.319 0.055 1.00 0.00 C HETATM 4 C4 UNL 1 -0.358 -6.930 0.953 1.00 0.00 C HETATM 5 C5 UNL 1 -1.691 -7.295 0.363 1.00 0.00 C HETATM 6 C6 UNL 1 -1.563 -8.177 -0.845 1.00 0.00 C HETATM 7 C7 UNL 1 -2.845 -8.651 -1.374 1.00 0.00 C HETATM 8 C8 UNL 1 -3.348 -8.360 -2.533 1.00 0.00 C HETATM 9 C9 UNL 1 -2.732 -7.477 -3.545 1.00 0.00 C HETATM 10 C10 UNL 1 -3.788 -6.399 -3.838 1.00 0.00 C HETATM 11 C11 UNL 1 -3.417 -5.347 -4.774 1.00 0.00 C HETATM 12 C12 UNL 1 -2.328 -4.386 -4.353 1.00 0.00 C HETATM 13 C13 UNL 1 -2.738 -3.653 -3.093 1.00 0.00 C HETATM 14 C14 UNL 1 -1.696 -2.605 -2.774 1.00 0.00 C HETATM 15 C15 UNL 1 -2.072 -1.850 -1.519 1.00 0.00 C HETATM 16 C16 UNL 1 -1.187 -0.734 -1.170 1.00 0.00 C HETATM 17 O1 UNL 1 -1.566 0.030 -0.204 1.00 0.00 O HETATM 18 O2 UNL 1 -0.002 -0.413 -1.769 1.00 0.00 O HETATM 19 C17 UNL 1 0.685 0.753 -1.303 1.00 0.00 C HETATM 20 C18 UNL 1 1.945 1.058 -1.995 1.00 0.00 C HETATM 21 C19 UNL 1 1.698 1.138 -3.534 1.00 0.00 C HETATM 22 O3 UNL 1 1.348 -0.130 -3.929 1.00 0.00 O HETATM 23 P1 UNL 1 1.033 -0.215 -5.588 1.00 0.00 P HETATM 24 O4 UNL 1 1.458 -1.555 -6.132 1.00 0.00 O HETATM 25 O5 UNL 1 1.842 1.014 -6.425 1.00 0.00 O HETATM 26 O6 UNL 1 -0.648 -0.083 -5.779 1.00 0.00 O HETATM 27 P2 UNL 1 -1.155 1.529 -5.811 1.00 0.00 P HETATM 28 O7 UNL 1 0.011 2.404 -6.269 1.00 0.00 O HETATM 29 O8 UNL 1 -2.346 1.670 -6.994 1.00 0.00 O HETATM 30 O9 UNL 1 -1.768 2.023 -4.338 1.00 0.00 O HETATM 31 C20 UNL 1 -2.860 2.890 -4.450 1.00 0.00 C HETATM 32 C21 UNL 1 -3.313 3.228 -3.053 1.00 0.00 C HETATM 33 O10 UNL 1 -2.387 3.839 -2.262 1.00 0.00 O HETATM 34 C22 UNL 1 -2.949 4.816 -1.497 1.00 0.00 C HETATM 35 N1 UNL 1 -2.313 6.113 -1.626 1.00 0.00 N HETATM 36 C23 UNL 1 -2.760 7.219 -1.060 1.00 0.00 C HETATM 37 C24 UNL 1 -2.104 8.444 -1.221 1.00 0.00 C HETATM 38 C25 UNL 1 -0.965 8.502 -1.992 1.00 0.00 C HETATM 39 N2 UNL 1 -0.281 9.734 -2.173 1.00 0.00 N HETATM 40 N3 UNL 1 -0.538 7.344 -2.558 1.00 0.00 N HETATM 41 C26 UNL 1 -1.201 6.182 -2.375 1.00 0.00 C HETATM 42 O11 UNL 1 -0.739 5.132 -2.939 1.00 0.00 O HETATM 43 C27 UNL 1 -4.399 4.829 -1.766 1.00 0.00 C HETATM 44 O12 UNL 1 -5.056 4.090 -0.764 1.00 0.00 O HETATM 45 C28 UNL 1 -4.556 4.081 -3.044 1.00 0.00 C HETATM 46 O13 UNL 1 -5.730 3.298 -2.969 1.00 0.00 O HETATM 47 O14 UNL 1 2.962 0.131 -1.757 1.00 0.00 O HETATM 48 C29 UNL 1 4.239 0.624 -1.442 1.00 0.00 C HETATM 49 O15 UNL 1 4.329 1.906 -1.426 1.00 0.00 O HETATM 50 C30 UNL 1 5.428 -0.119 -1.147 1.00 0.00 C HETATM 51 C31 UNL 1 5.886 -0.421 0.210 1.00 0.00 C HETATM 52 C32 UNL 1 6.174 0.684 1.174 1.00 0.00 C HETATM 53 C33 UNL 1 5.050 1.438 1.686 1.00 0.00 C HETATM 54 C34 UNL 1 4.842 1.505 3.002 1.00 0.00 C HETATM 55 C35 UNL 1 5.673 0.866 4.046 1.00 0.00 C HETATM 56 C36 UNL 1 6.184 1.978 4.891 1.00 0.00 C HETATM 57 C37 UNL 1 6.001 2.101 6.165 1.00 0.00 C HETATM 58 C38 UNL 1 5.239 1.114 6.962 1.00 0.00 C HETATM 59 C39 UNL 1 4.090 1.784 7.593 1.00 0.00 C HETATM 60 C40 UNL 1 2.826 1.520 7.436 1.00 0.00 C HETATM 61 C41 UNL 1 2.447 0.392 6.495 1.00 0.00 C HETATM 62 C42 UNL 1 1.627 0.984 5.434 1.00 0.00 C HETATM 63 C43 UNL 1 0.421 0.587 5.149 1.00 0.00 C HETATM 64 C44 UNL 1 -0.350 -0.488 5.787 1.00 0.00 C HETATM 65 C45 UNL 1 -0.660 -1.533 4.682 1.00 0.00 C HETATM 66 C46 UNL 1 0.672 -2.031 4.130 1.00 0.00 C HETATM 67 C47 UNL 1 0.436 -3.038 3.032 1.00 0.00 C HETATM 68 C48 UNL 1 1.759 -3.540 2.475 1.00 0.00 C HETATM 69 O16 UNL 1 -0.343 -2.423 2.031 1.00 0.00 O HETATM 70 H1 UNL 1 1.453 -3.745 -1.993 1.00 0.00 H HETATM 71 H2 UNL 1 1.691 -5.567 -2.178 1.00 0.00 H HETATM 72 H3 UNL 1 2.403 -4.759 -0.757 1.00 0.00 H HETATM 73 H4 UNL 1 -0.602 -5.141 -1.310 1.00 0.00 H HETATM 74 H5 UNL 1 0.084 -4.203 0.016 1.00 0.00 H HETATM 75 H6 UNL 1 1.533 -6.065 0.702 1.00 0.00 H HETATM 76 H7 UNL 1 1.085 -7.079 -0.659 1.00 0.00 H HETATM 77 H8 UNL 1 -0.579 -6.206 1.783 1.00 0.00 H HETATM 78 H9 UNL 1 0.093 -7.801 1.459 1.00 0.00 H HETATM 79 H10 UNL 1 -2.245 -7.877 1.127 1.00 0.00 H HETATM 80 H11 UNL 1 -2.252 -6.386 0.057 1.00 0.00 H HETATM 81 H12 UNL 1 -0.984 -7.710 -1.667 1.00 0.00 H HETATM 82 H13 UNL 1 -0.975 -9.108 -0.603 1.00 0.00 H HETATM 83 H14 UNL 1 -3.420 -9.321 -0.700 1.00 0.00 H HETATM 84 H15 UNL 1 -4.325 -8.813 -2.784 1.00 0.00 H HETATM 85 H16 UNL 1 -2.676 -8.086 -4.496 1.00 0.00 H HETATM 86 H17 UNL 1 -1.766 -7.062 -3.323 1.00 0.00 H HETATM 87 H18 UNL 1 -4.228 -6.044 -2.874 1.00 0.00 H HETATM 88 H19 UNL 1 -4.637 -6.992 -4.302 1.00 0.00 H HETATM 89 H20 UNL 1 -3.024 -5.833 -5.713 1.00 0.00 H HETATM 90 H21 UNL 1 -4.263 -4.724 -5.142 1.00 0.00 H HETATM 91 H22 UNL 1 -2.250 -3.631 -5.164 1.00 0.00 H HETATM 92 H23 UNL 1 -1.351 -4.832 -4.197 1.00 0.00 H HETATM 93 H24 UNL 1 -3.699 -3.088 -3.260 1.00 0.00 H HETATM 94 H25 UNL 1 -2.914 -4.321 -2.241 1.00 0.00 H HETATM 95 H26 UNL 1 -1.607 -1.950 -3.650 1.00 0.00 H HETATM 96 H27 UNL 1 -0.749 -3.142 -2.579 1.00 0.00 H HETATM 97 H28 UNL 1 -3.138 -1.507 -1.665 1.00 0.00 H HETATM 98 H29 UNL 1 -2.129 -2.580 -0.682 1.00 0.00 H HETATM 99 H30 UNL 1 0.915 0.521 -0.221 1.00 0.00 H HETATM 100 H31 UNL 1 -0.053 1.578 -1.300 1.00 0.00 H HETATM 101 H32 UNL 1 2.296 2.081 -1.769 1.00 0.00 H HETATM 102 H33 UNL 1 2.654 1.465 -3.962 1.00 0.00 H HETATM 103 H34 UNL 1 0.931 1.884 -3.752 1.00 0.00 H HETATM 104 H35 UNL 1 1.549 1.020 -7.368 1.00 0.00 H HETATM 105 H36 UNL 1 -3.187 1.292 -6.623 1.00 0.00 H HETATM 106 H37 UNL 1 -2.648 3.779 -5.057 1.00 0.00 H HETATM 107 H38 UNL 1 -3.673 2.262 -4.900 1.00 0.00 H HETATM 108 H39 UNL 1 -3.586 2.258 -2.562 1.00 0.00 H HETATM 109 H40 UNL 1 -2.787 4.509 -0.419 1.00 0.00 H HETATM 110 H41 UNL 1 -3.640 7.186 -0.464 1.00 0.00 H HETATM 111 H42 UNL 1 -2.505 9.327 -0.738 1.00 0.00 H HETATM 112 H43 UNL 1 0.713 9.845 -1.851 1.00 0.00 H HETATM 113 H44 UNL 1 -0.704 10.571 -2.616 1.00 0.00 H HETATM 114 H45 UNL 1 -4.852 5.844 -1.794 1.00 0.00 H HETATM 115 H46 UNL 1 -4.582 4.184 0.109 1.00 0.00 H HETATM 116 H47 UNL 1 -4.673 4.716 -3.936 1.00 0.00 H HETATM 117 H48 UNL 1 -6.415 3.721 -2.395 1.00 0.00 H HETATM 118 H49 UNL 1 6.331 0.348 -1.696 1.00 0.00 H HETATM 119 H50 UNL 1 5.344 -1.137 -1.680 1.00 0.00 H HETATM 120 H51 UNL 1 5.211 -1.139 0.759 1.00 0.00 H HETATM 121 H52 UNL 1 6.878 -0.977 0.106 1.00 0.00 H HETATM 122 H53 UNL 1 6.976 0.415 1.897 1.00 0.00 H HETATM 123 H54 UNL 1 6.754 1.456 0.515 1.00 0.00 H HETATM 124 H55 UNL 1 4.362 1.956 1.065 1.00 0.00 H HETATM 125 H56 UNL 1 3.990 2.072 3.345 1.00 0.00 H HETATM 126 H57 UNL 1 6.555 0.321 3.699 1.00 0.00 H HETATM 127 H58 UNL 1 4.988 0.175 4.581 1.00 0.00 H HETATM 128 H59 UNL 1 6.780 2.780 4.389 1.00 0.00 H HETATM 129 H60 UNL 1 6.439 2.997 6.674 1.00 0.00 H HETATM 130 H61 UNL 1 5.077 0.212 6.414 1.00 0.00 H HETATM 131 H62 UNL 1 5.933 0.883 7.863 1.00 0.00 H HETATM 132 H63 UNL 1 4.344 2.619 8.280 1.00 0.00 H HETATM 133 H64 UNL 1 2.029 2.049 7.927 1.00 0.00 H HETATM 134 H65 UNL 1 3.279 -0.202 6.167 1.00 0.00 H HETATM 135 H66 UNL 1 1.772 -0.252 7.144 1.00 0.00 H HETATM 136 H67 UNL 1 2.081 1.808 4.860 1.00 0.00 H HETATM 137 H68 UNL 1 -0.112 1.114 4.318 1.00 0.00 H HETATM 138 H69 UNL 1 -1.345 -0.168 6.158 1.00 0.00 H HETATM 139 H70 UNL 1 0.192 -0.981 6.566 1.00 0.00 H HETATM 140 H71 UNL 1 -1.187 -2.381 5.101 1.00 0.00 H HETATM 141 H72 UNL 1 -1.283 -1.020 3.953 1.00 0.00 H HETATM 142 H73 UNL 1 1.164 -2.584 4.965 1.00 0.00 H HETATM 143 H74 UNL 1 1.268 -1.178 3.760 1.00 0.00 H HETATM 144 H75 UNL 1 -0.094 -3.899 3.444 1.00 0.00 H HETATM 145 H76 UNL 1 1.910 -4.614 2.658 1.00 0.00 H HETATM 146 H77 UNL 1 1.814 -3.365 1.383 1.00 0.00 H HETATM 147 H78 UNL 1 2.592 -3.004 3.004 1.00 0.00 H HETATM 148 H79 UNL 1 0.219 -1.948 1.364 1.00 0.00 H CONECT 1 2 70 71 72 CONECT 2 3 73 74 CONECT 3 4 75 76 CONECT 4 5 77 78 CONECT 5 6 79 80 CONECT 6 7 81 82 CONECT 7 8 8 83 CONECT 8 9 84 CONECT 9 10 85 86 CONECT 10 11 87 88 CONECT 11 12 89 90 CONECT 12 13 91 92 CONECT 13 14 93 94 CONECT 14 15 95 96 CONECT 15 16 97 98 CONECT 16 17 17 18 CONECT 18 19 CONECT 19 20 99 100 CONECT 20 21 47 101 CONECT 21 22 102 103 CONECT 22 23 CONECT 23 24 24 25 26 CONECT 25 104 CONECT 26 27 CONECT 27 28 28 29 30 CONECT 29 105 CONECT 30 31 CONECT 31 32 106 107 CONECT 32 33 45 108 CONECT 33 34 CONECT 34 35 43 109 CONECT 35 36 41 CONECT 36 37 37 110 CONECT 37 38 111 CONECT 38 39 40 40 CONECT 39 112 113 CONECT 40 41 CONECT 41 42 42 CONECT 43 44 45 114 CONECT 44 115 CONECT 45 46 116 CONECT 46 117 CONECT 47 48 CONECT 48 49 49 50 CONECT 50 51 118 119 CONECT 51 52 120 121 CONECT 52 53 122 123 CONECT 53 54 54 124 CONECT 54 55 125 CONECT 55 56 126 127 CONECT 56 57 57 128 CONECT 57 58 129 CONECT 58 59 130 131 CONECT 59 60 60 132 CONECT 60 61 133 CONECT 61 62 134 135 CONECT 62 63 63 136 CONECT 63 64 137 CONECT 64 65 138 139 CONECT 65 66 140 141 CONECT 66 67 142 143 CONECT 67 68 69 144 CONECT 68 145 146 147 CONECT 69 148 END