COMPND HMDB0291940 HETATM 1 C1 UNL 1 15.288 -3.236 1.909 1.00 0.00 C HETATM 2 C2 UNL 1 15.840 -2.152 1.023 1.00 0.00 C HETATM 3 C3 UNL 1 14.615 -1.361 0.511 1.00 0.00 C HETATM 4 C4 UNL 1 15.069 -0.258 -0.380 1.00 0.00 C HETATM 5 C5 UNL 1 13.846 0.500 -0.911 1.00 0.00 C HETATM 6 C6 UNL 1 13.079 1.071 0.205 1.00 0.00 C HETATM 7 C7 UNL 1 11.910 1.893 -0.179 1.00 0.00 C HETATM 8 C8 UNL 1 10.802 1.215 -0.875 1.00 0.00 C HETATM 9 C9 UNL 1 11.064 0.596 -2.169 1.00 0.00 C HETATM 10 C10 UNL 1 10.866 -0.639 -2.507 1.00 0.00 C HETATM 11 C11 UNL 1 10.309 -1.714 -1.611 1.00 0.00 C HETATM 12 C12 UNL 1 9.108 -2.206 -2.294 1.00 0.00 C HETATM 13 C13 UNL 1 7.909 -2.274 -1.890 1.00 0.00 C HETATM 14 C14 UNL 1 7.310 -1.898 -0.615 1.00 0.00 C HETATM 15 C15 UNL 1 8.070 -1.401 0.484 1.00 0.00 C HETATM 16 C16 UNL 1 7.933 -0.234 1.055 1.00 0.00 C HETATM 17 C17 UNL 1 6.967 0.792 0.680 1.00 0.00 C HETATM 18 C18 UNL 1 6.099 1.141 1.866 1.00 0.00 C HETATM 19 C19 UNL 1 5.297 0.050 2.450 1.00 0.00 C HETATM 20 C20 UNL 1 4.297 -0.584 1.597 1.00 0.00 C HETATM 21 O1 UNL 1 4.549 -1.669 1.016 1.00 0.00 O HETATM 22 O2 UNL 1 3.030 -0.059 1.367 1.00 0.00 O HETATM 23 C21 UNL 1 2.121 -0.713 0.542 1.00 0.00 C HETATM 24 C22 UNL 1 1.819 0.149 -0.668 1.00 0.00 C HETATM 25 O3 UNL 1 1.207 1.354 -0.330 1.00 0.00 O HETATM 26 C23 UNL 1 0.107 1.924 -0.893 1.00 0.00 C HETATM 27 O4 UNL 1 -0.255 3.079 -0.484 1.00 0.00 O HETATM 28 C24 UNL 1 -0.733 1.315 -1.961 1.00 0.00 C HETATM 29 C25 UNL 1 -2.183 1.716 -1.841 1.00 0.00 C HETATM 30 C26 UNL 1 -2.716 2.366 -3.090 1.00 0.00 C HETATM 31 C27 UNL 1 -4.040 1.856 -3.506 1.00 0.00 C HETATM 32 C28 UNL 1 -5.197 2.282 -3.026 1.00 0.00 C HETATM 33 C29 UNL 1 -5.166 3.140 -1.809 1.00 0.00 C HETATM 34 C30 UNL 1 -6.533 3.521 -1.301 1.00 0.00 C HETATM 35 C31 UNL 1 -7.521 2.869 -2.178 1.00 0.00 C HETATM 36 C32 UNL 1 -8.339 1.897 -2.197 1.00 0.00 C HETATM 37 C33 UNL 1 -8.452 0.462 -2.126 1.00 0.00 C HETATM 38 O5 UNL 1 -8.998 -0.282 -3.043 1.00 0.00 O HETATM 39 C34 UNL 1 -7.996 -0.472 -1.034 1.00 0.00 C HETATM 40 C35 UNL 1 -9.184 -1.060 -0.344 1.00 0.00 C HETATM 41 C36 UNL 1 -9.326 -2.373 -0.371 1.00 0.00 C HETATM 42 C37 UNL 1 -10.463 -3.081 0.276 1.00 0.00 C HETATM 43 O6 UNL 1 -10.962 -2.279 1.318 1.00 0.00 O HETATM 44 C38 UNL 1 -11.602 -3.322 -0.675 1.00 0.00 C HETATM 45 C39 UNL 1 -11.234 -4.153 -1.862 1.00 0.00 C HETATM 46 C40 UNL 1 -10.735 -5.526 -1.511 1.00 0.00 C HETATM 47 C41 UNL 1 -11.777 -6.327 -0.749 1.00 0.00 C HETATM 48 C42 UNL 1 -11.168 -7.692 -0.447 1.00 0.00 C HETATM 49 C43 UNL 1 -7.109 0.291 -0.158 1.00 0.00 C HETATM 50 O7 UNL 1 -5.847 0.199 -0.647 1.00 0.00 O HETATM 51 C44 UNL 1 -7.019 0.205 1.314 1.00 0.00 C HETATM 52 O8 UNL 1 -8.200 0.040 1.990 1.00 0.00 O HETATM 53 C45 UNL 1 -6.442 1.595 1.724 1.00 0.00 C HETATM 54 C46 UNL 1 -5.257 1.305 2.617 1.00 0.00 C HETATM 55 O9 UNL 1 -4.702 0.046 2.396 1.00 0.00 O HETATM 56 P1 UNL 1 -3.055 0.124 2.037 1.00 0.00 P HETATM 57 O10 UNL 1 -2.759 1.571 1.629 1.00 0.00 O HETATM 58 O11 UNL 1 -2.092 -0.169 3.403 1.00 0.00 O HETATM 59 O12 UNL 1 -2.641 -0.835 0.733 1.00 0.00 O HETATM 60 P2 UNL 1 -1.509 -2.026 1.119 1.00 0.00 P HETATM 61 O13 UNL 1 -2.032 -3.331 0.520 1.00 0.00 O HETATM 62 O14 UNL 1 -1.367 -2.257 2.768 1.00 0.00 O HETATM 63 O15 UNL 1 -0.027 -1.708 0.366 1.00 0.00 O HETATM 64 C47 UNL 1 0.854 -1.121 1.266 1.00 0.00 C HETATM 65 O16 UNL 1 -6.045 2.350 0.675 1.00 0.00 O HETATM 66 C48 UNL 1 -6.706 3.402 0.192 1.00 0.00 C HETATM 67 N1 UNL 1 -6.340 4.613 0.931 1.00 0.00 N HETATM 68 C49 UNL 1 -7.310 5.498 1.345 1.00 0.00 C HETATM 69 C50 UNL 1 -7.039 6.648 2.041 1.00 0.00 C HETATM 70 C51 UNL 1 -5.729 6.953 2.353 1.00 0.00 C HETATM 71 N2 UNL 1 -5.341 8.114 3.071 1.00 0.00 N HETATM 72 N3 UNL 1 -4.795 6.085 1.945 1.00 0.00 N HETATM 73 C52 UNL 1 -5.105 4.962 1.261 1.00 0.00 C HETATM 74 O17 UNL 1 -4.162 4.232 0.933 1.00 0.00 O HETATM 75 H1 UNL 1 15.949 -4.126 1.820 1.00 0.00 H HETATM 76 H2 UNL 1 14.246 -3.478 1.619 1.00 0.00 H HETATM 77 H3 UNL 1 15.314 -2.861 2.955 1.00 0.00 H HETATM 78 H4 UNL 1 16.444 -1.432 1.584 1.00 0.00 H HETATM 79 H5 UNL 1 16.351 -2.605 0.167 1.00 0.00 H HETATM 80 H6 UNL 1 13.956 -2.050 -0.015 1.00 0.00 H HETATM 81 H7 UNL 1 14.138 -1.006 1.459 1.00 0.00 H HETATM 82 H8 UNL 1 15.610 -0.622 -1.268 1.00 0.00 H HETATM 83 H9 UNL 1 15.663 0.513 0.171 1.00 0.00 H HETATM 84 H10 UNL 1 14.190 1.339 -1.570 1.00 0.00 H HETATM 85 H11 UNL 1 13.274 -0.178 -1.530 1.00 0.00 H HETATM 86 H12 UNL 1 12.748 0.201 0.858 1.00 0.00 H HETATM 87 H13 UNL 1 13.714 1.671 0.918 1.00 0.00 H HETATM 88 H14 UNL 1 12.260 2.778 -0.830 1.00 0.00 H HETATM 89 H15 UNL 1 11.490 2.452 0.717 1.00 0.00 H HETATM 90 H16 UNL 1 10.327 0.432 -0.201 1.00 0.00 H HETATM 91 H17 UNL 1 9.958 1.974 -1.014 1.00 0.00 H HETATM 92 H18 UNL 1 11.487 1.257 -2.975 1.00 0.00 H HETATM 93 H19 UNL 1 11.128 -0.935 -3.544 1.00 0.00 H HETATM 94 H20 UNL 1 11.103 -2.547 -1.644 1.00 0.00 H HETATM 95 H21 UNL 1 10.241 -1.415 -0.591 1.00 0.00 H HETATM 96 H22 UNL 1 9.331 -2.578 -3.355 1.00 0.00 H HETATM 97 H23 UNL 1 7.178 -2.708 -2.671 1.00 0.00 H HETATM 98 H24 UNL 1 6.681 -2.832 -0.289 1.00 0.00 H HETATM 99 H25 UNL 1 6.423 -1.194 -0.843 1.00 0.00 H HETATM 100 H26 UNL 1 8.831 -2.073 0.946 1.00 0.00 H HETATM 101 H27 UNL 1 8.607 0.006 1.900 1.00 0.00 H HETATM 102 H28 UNL 1 6.328 0.565 -0.164 1.00 0.00 H HETATM 103 H29 UNL 1 7.567 1.735 0.464 1.00 0.00 H HETATM 104 H30 UNL 1 6.824 1.555 2.634 1.00 0.00 H HETATM 105 H31 UNL 1 5.459 2.036 1.623 1.00 0.00 H HETATM 106 H32 UNL 1 4.760 0.480 3.343 1.00 0.00 H HETATM 107 H33 UNL 1 5.991 -0.705 2.914 1.00 0.00 H HETATM 108 H34 UNL 1 2.586 -1.642 0.155 1.00 0.00 H HETATM 109 H35 UNL 1 1.233 -0.365 -1.432 1.00 0.00 H HETATM 110 H36 UNL 1 2.827 0.411 -1.103 1.00 0.00 H HETATM 111 H37 UNL 1 -0.686 0.212 -1.813 1.00 0.00 H HETATM 112 H38 UNL 1 -0.327 1.509 -2.976 1.00 0.00 H HETATM 113 H39 UNL 1 -2.850 0.863 -1.593 1.00 0.00 H HETATM 114 H40 UNL 1 -2.245 2.409 -0.955 1.00 0.00 H HETATM 115 H41 UNL 1 -2.706 3.459 -2.920 1.00 0.00 H HETATM 116 H42 UNL 1 -1.983 2.166 -3.901 1.00 0.00 H HETATM 117 H43 UNL 1 -4.107 1.061 -4.271 1.00 0.00 H HETATM 118 H44 UNL 1 -6.158 2.050 -3.450 1.00 0.00 H HETATM 119 H45 UNL 1 -4.562 4.020 -2.135 1.00 0.00 H HETATM 120 H46 UNL 1 -4.664 2.541 -1.044 1.00 0.00 H HETATM 121 H47 UNL 1 -6.561 4.649 -1.429 1.00 0.00 H HETATM 122 H48 UNL 1 -7.518 3.502 -3.146 1.00 0.00 H HETATM 123 H49 UNL 1 -9.411 2.322 -2.337 1.00 0.00 H HETATM 124 H50 UNL 1 -7.415 -1.293 -1.521 1.00 0.00 H HETATM 125 H51 UNL 1 -9.931 -0.479 0.173 1.00 0.00 H HETATM 126 H52 UNL 1 -8.593 -2.987 -0.882 1.00 0.00 H HETATM 127 H53 UNL 1 -10.176 -4.041 0.729 1.00 0.00 H HETATM 128 H54 UNL 1 -11.518 -1.540 0.966 1.00 0.00 H HETATM 129 H55 UNL 1 -12.069 -2.388 -1.047 1.00 0.00 H HETATM 130 H56 UNL 1 -12.394 -3.856 -0.111 1.00 0.00 H HETATM 131 H57 UNL 1 -12.171 -4.297 -2.458 1.00 0.00 H HETATM 132 H58 UNL 1 -10.504 -3.675 -2.534 1.00 0.00 H HETATM 133 H59 UNL 1 -10.582 -6.065 -2.484 1.00 0.00 H HETATM 134 H60 UNL 1 -9.773 -5.536 -0.990 1.00 0.00 H HETATM 135 H61 UNL 1 -12.090 -5.849 0.189 1.00 0.00 H HETATM 136 H62 UNL 1 -12.653 -6.533 -1.407 1.00 0.00 H HETATM 137 H63 UNL 1 -11.944 -8.480 -0.455 1.00 0.00 H HETATM 138 H64 UNL 1 -10.415 -7.972 -1.199 1.00 0.00 H HETATM 139 H65 UNL 1 -10.671 -7.701 0.549 1.00 0.00 H HETATM 140 H66 UNL 1 -7.657 1.246 -0.212 1.00 0.00 H HETATM 141 H67 UNL 1 -5.741 -0.469 -1.379 1.00 0.00 H HETATM 142 H68 UNL 1 -6.327 -0.601 1.593 1.00 0.00 H HETATM 143 H69 UNL 1 -8.029 -0.428 2.854 1.00 0.00 H HETATM 144 H70 UNL 1 -7.235 2.161 2.296 1.00 0.00 H HETATM 145 H71 UNL 1 -4.431 2.031 2.498 1.00 0.00 H HETATM 146 H72 UNL 1 -5.559 1.393 3.697 1.00 0.00 H HETATM 147 H73 UNL 1 -1.335 0.484 3.471 1.00 0.00 H HETATM 148 H74 UNL 1 -0.529 -1.883 3.126 1.00 0.00 H HETATM 149 H75 UNL 1 1.153 -1.940 1.976 1.00 0.00 H HETATM 150 H76 UNL 1 0.338 -0.295 1.758 1.00 0.00 H HETATM 151 H77 UNL 1 -7.829 3.403 0.346 1.00 0.00 H HETATM 152 H78 UNL 1 -8.346 5.298 1.120 1.00 0.00 H HETATM 153 H79 UNL 1 -7.788 7.345 2.369 1.00 0.00 H HETATM 154 H80 UNL 1 -4.554 8.089 3.752 1.00 0.00 H HETATM 155 H81 UNL 1 -5.823 9.028 2.947 1.00 0.00 H CONECT 1 2 75 76 77 CONECT 2 3 78 79 CONECT 3 4 80 81 CONECT 4 5 82 83 CONECT 5 6 84 85 CONECT 6 7 86 87 CONECT 7 8 88 89 CONECT 8 9 90 91 CONECT 9 10 10 92 CONECT 10 11 93 CONECT 11 12 94 95 CONECT 12 13 13 96 CONECT 13 14 97 CONECT 14 15 98 99 CONECT 15 16 16 100 CONECT 16 17 101 CONECT 17 18 102 103 CONECT 18 19 104 105 CONECT 19 20 106 107 CONECT 20 21 21 22 CONECT 22 23 CONECT 23 24 64 108 CONECT 24 25 109 110 CONECT 25 26 CONECT 26 27 27 28 CONECT 28 29 111 112 CONECT 29 30 113 114 CONECT 30 31 115 116 CONECT 31 32 32 117 CONECT 32 33 118 CONECT 33 34 119 120 CONECT 34 35 66 121 CONECT 35 36 36 122 CONECT 36 37 123 CONECT 37 38 38 39 CONECT 39 40 49 124 CONECT 40 41 41 125 CONECT 41 42 126 CONECT 42 43 44 127 CONECT 43 128 CONECT 44 45 129 130 CONECT 45 46 131 132 CONECT 46 47 133 134 CONECT 47 48 135 136 CONECT 48 137 138 139 CONECT 49 50 51 140 CONECT 50 141 CONECT 51 52 53 142 CONECT 52 143 CONECT 53 54 65 144 CONECT 54 55 145 146 CONECT 55 56 CONECT 56 57 57 58 59 CONECT 58 147 CONECT 59 60 CONECT 60 61 61 62 63 CONECT 62 148 CONECT 63 64 CONECT 64 149 150 CONECT 65 66 CONECT 66 67 151 CONECT 67 68 73 CONECT 68 69 69 152 CONECT 69 70 153 CONECT 70 71 72 72 CONECT 71 154 155 CONECT 72 73 CONECT 73 74 74 END