| COMPND 6d07_ligand |
| HETATM 1 N1 UNL 1 11.352 -0.783 -0.150 1.00 0.00 N1+ |
| HETATM 2 C1 UNL 1 11.104 -2.032 0.498 1.00 0.00 C |
| HETATM 3 C2 UNL 1 9.722 -2.453 0.658 1.00 0.00 C |
| HETATM 4 O1 UNL 1 9.554 -3.581 1.261 1.00 0.00 O |
| HETATM 5 C3 UNL 1 11.955 -2.334 1.690 1.00 0.00 C |
| HETATM 6 C4 UNL 1 13.406 -2.471 1.499 1.00 0.00 C |
| HETATM 7 C5 UNL 1 14.178 -1.319 0.964 1.00 0.00 C |
| HETATM 8 C6 UNL 1 15.675 -1.690 0.885 1.00 0.00 C |
| HETATM 9 N2 UNL 1 16.367 -0.543 0.354 1.00 0.00 N1+ |
| HETATM 10 N3 UNL 1 8.561 -1.808 0.249 1.00 0.00 N |
| HETATM 11 C7 UNL 1 7.223 -2.361 0.465 1.00 0.00 C |
| HETATM 12 C8 UNL 1 6.517 -2.462 -0.827 1.00 0.00 C |
| HETATM 13 O2 UNL 1 7.088 -2.096 -1.900 1.00 0.00 O |
| HETATM 14 C9 UNL 1 6.463 -1.863 1.615 1.00 0.00 C |
| HETATM 15 C10 UNL 1 6.127 -0.445 1.761 1.00 0.00 C |
| HETATM 16 C11 UNL 1 7.200 0.528 1.914 1.00 0.00 C |
| HETATM 17 O3 UNL 1 8.381 0.169 2.112 1.00 0.00 O |
| HETATM 18 N4 UNL 1 6.973 1.945 1.850 1.00 0.00 N |
| HETATM 19 N5 UNL 1 5.174 -2.970 -0.977 1.00 0.00 N |
| HETATM 20 C12 UNL 1 4.611 -3.027 -2.319 1.00 0.00 C |
| HETATM 21 C13 UNL 1 3.328 -2.335 -2.397 1.00 0.00 C |
| HETATM 22 O4 UNL 1 2.796 -2.047 -3.539 1.00 0.00 O |
| HETATM 23 C14 UNL 1 4.493 -4.496 -2.738 1.00 0.00 C |
| HETATM 24 O5 UNL 1 5.804 -4.986 -2.690 1.00 0.00 O |
| HETATM 25 C15 UNL 1 4.064 -4.600 -4.184 1.00 0.00 C |
| HETATM 26 N6 UNL 1 2.551 -1.918 -1.277 1.00 0.00 N |
| HETATM 27 C16 UNL 1 1.296 -1.221 -1.469 1.00 0.00 C |
| HETATM 28 C17 UNL 1 0.778 -0.503 -0.303 1.00 0.00 C |
| HETATM 29 O6 UNL 1 1.311 -0.693 0.816 1.00 0.00 O |
| HETATM 30 C18 UNL 1 0.230 -2.262 -1.925 1.00 0.00 C |
| HETATM 31 N7 UNL 1 -0.336 0.401 -0.479 1.00 0.00 N |
| HETATM 32 C19 UNL 1 -0.854 1.056 0.684 1.00 0.00 C |
| HETATM 33 C20 UNL 1 -2.293 1.343 0.597 1.00 0.00 C |
| HETATM 34 O7 UNL 1 -2.856 1.811 1.623 1.00 0.00 O |
| HETATM 35 C21 UNL 1 -0.152 2.408 0.908 1.00 0.00 C |
| HETATM 36 C22 UNL 1 -0.403 3.258 -0.295 1.00 0.00 C |
| HETATM 37 C23 UNL 1 0.273 4.612 -0.169 1.00 0.00 C |
| HETATM 38 N8 UNL 1 -0.178 5.344 0.970 1.00 0.00 N |
| HETATM 39 C24 UNL 1 -1.503 5.882 1.087 1.00 0.00 C |
| HETATM 40 N9 UNL 1 -2.016 6.359 -0.010 1.00 0.00 N |
| HETATM 41 N10 UNL 1 -2.202 5.904 2.312 1.00 0.00 N |
| HETATM 42 N11 UNL 1 -3.078 1.134 -0.546 1.00 0.00 N |
| HETATM 43 C25 UNL 1 -4.529 1.417 -0.635 1.00 0.00 C |
| HETATM 44 C26 UNL 1 -4.535 2.683 -1.520 1.00 0.00 C |
| HETATM 45 C27 UNL 1 -5.872 3.252 -1.780 1.00 0.00 C |
| HETATM 46 C28 UNL 1 -6.612 3.706 -0.537 1.00 0.00 C |
| HETATM 47 C29 UNL 1 -7.949 4.281 -0.957 1.00 0.00 C |
| HETATM 48 N12 UNL 1 -8.734 4.760 0.157 1.00 0.00 N1+ |
| HETATM 49 C30 UNL 1 -5.157 0.365 -1.504 1.00 0.00 C |
| HETATM 50 O8 UNL 1 -4.391 -0.387 -2.162 1.00 0.00 O |
| HETATM 51 C31 UNL 1 -7.961 5.576 1.078 1.00 0.00 C |
| HETATM 52 C32 UNL 1 -9.352 3.724 0.933 1.00 0.00 C |
| HETATM 53 C33 UNL 1 -9.822 5.563 -0.414 1.00 0.00 C |
| HETATM 54 N13 UNL 1 -6.545 0.220 -1.581 1.00 0.00 N |
| HETATM 55 C34 UNL 1 -7.312 -0.703 -2.374 1.00 0.00 C |
| HETATM 56 C35 UNL 1 -7.618 -1.932 -1.616 1.00 0.00 C |
| HETATM 57 O9 UNL 1 -8.185 -2.889 -2.176 1.00 0.00 O |
| HETATM 58 C36 UNL 1 -6.794 -0.999 -3.748 1.00 0.00 C |
| HETATM 59 O10 UNL 1 -5.568 -1.606 -3.833 1.00 0.00 O |
| HETATM 60 N14 UNL 1 -7.268 -2.030 -0.257 1.00 0.00 N |
| HETATM 61 C37 UNL 1 -7.528 -3.212 0.512 1.00 0.00 C |
| HETATM 62 C38 UNL 1 -8.757 -3.041 1.343 1.00 0.00 C |
| HETATM 63 O11 UNL 1 -9.144 -3.933 2.135 1.00 0.00 O |
| HETATM 64 C39 UNL 1 -6.316 -3.576 1.304 1.00 0.00 C |
| HETATM 65 O12 UNL 1 -6.533 -4.733 2.060 1.00 0.00 O |
| HETATM 66 C40 UNL 1 -5.887 -2.446 2.228 1.00 0.00 C |
| HETATM 67 N15 UNL 1 -9.488 -1.840 1.216 1.00 0.00 N |
| HETATM 68 C41 UNL 1 -10.704 -1.584 1.973 1.00 0.00 C |
| HETATM 69 C42 UNL 1 -11.728 -2.624 1.647 1.00 0.00 C |
| HETATM 70 O13 UNL 1 -11.398 -3.523 0.826 1.00 0.00 O |
| HETATM 71 O14 UNL 1 -12.999 -2.616 2.219 1.00 0.00 O |
| HETATM 72 H1 UNL 1 10.419 -0.318 -0.395 1.00 0.00 H |
| HETATM 73 H2 UNL 1 11.809 -0.055 0.454 1.00 0.00 H |
| HETATM 74 H3 UNL 1 11.801 -0.866 -1.109 1.00 0.00 H |
| HETATM 75 H4 UNL 1 11.517 -2.804 -0.289 1.00 0.00 H |
| HETATM 76 H5 UNL 1 11.584 -3.308 2.159 1.00 0.00 H |
| HETATM 77 H6 UNL 1 11.795 -1.596 2.521 1.00 0.00 H |
| HETATM 78 H7 UNL 1 13.916 -2.731 2.494 1.00 0.00 H |
| HETATM 79 H8 UNL 1 13.653 -3.413 0.885 1.00 0.00 H |
| HETATM 80 H9 UNL 1 13.828 -1.038 -0.035 1.00 0.00 H |
| HETATM 81 H10 UNL 1 14.120 -0.439 1.626 1.00 0.00 H |
| HETATM 82 H11 UNL 1 16.032 -1.951 1.890 1.00 0.00 H |
| HETATM 83 H12 UNL 1 15.814 -2.550 0.200 1.00 0.00 H |
| HETATM 84 H13 UNL 1 15.778 -0.168 -0.425 1.00 0.00 H |
| HETATM 85 H14 UNL 1 16.436 0.229 1.049 1.00 0.00 H |
| HETATM 86 H15 UNL 1 17.318 -0.804 -0.024 1.00 0.00 H |
| HETATM 87 H16 UNL 1 8.622 -0.907 -0.259 1.00 0.00 H |
| HETATM 88 H17 UNL 1 7.409 -3.485 0.741 1.00 0.00 H |
| HETATM 89 H18 UNL 1 5.482 -2.436 1.732 1.00 0.00 H |
| HETATM 90 H19 UNL 1 6.992 -2.168 2.589 1.00 0.00 H |
| HETATM 91 H20 UNL 1 5.506 -0.363 2.717 1.00 0.00 H |
| HETATM 92 H21 UNL 1 5.422 -0.057 0.978 1.00 0.00 H |
| HETATM 93 H22 UNL 1 7.528 2.535 2.502 1.00 0.00 H |
| HETATM 94 H23 UNL 1 6.299 2.398 1.204 1.00 0.00 H |
| HETATM 95 H24 UNL 1 4.647 -3.275 -0.154 1.00 0.00 H |
| HETATM 96 H25 UNL 1 5.309 -2.577 -3.053 1.00 0.00 H |
| HETATM 97 H26 UNL 1 3.792 -5.044 -2.111 1.00 0.00 H |
| HETATM 98 H27 UNL 1 5.926 -5.721 -2.058 1.00 0.00 H |
| HETATM 99 H28 UNL 1 4.363 -3.719 -4.790 1.00 0.00 H |
| HETATM 100 H29 UNL 1 2.969 -4.790 -4.283 1.00 0.00 H |
| HETATM 101 H30 UNL 1 4.562 -5.486 -4.680 1.00 0.00 H |
| HETATM 102 H31 UNL 1 2.928 -2.139 -0.331 1.00 0.00 H |
| HETATM 103 H32 UNL 1 1.374 -0.573 -2.341 1.00 0.00 H |
| HETATM 104 H33 UNL 1 0.514 -2.578 -2.927 1.00 0.00 H |
| HETATM 105 H34 UNL 1 -0.723 -1.704 -1.933 1.00 0.00 H |
| HETATM 106 H35 UNL 1 0.221 -3.113 -1.250 1.00 0.00 H |
| HETATM 107 H36 UNL 1 -0.674 0.506 -1.447 1.00 0.00 H |
| HETATM 108 H37 UNL 1 -0.633 0.464 1.595 1.00 0.00 H |
| HETATM 109 H38 UNL 1 -0.470 2.852 1.850 1.00 0.00 H |
| HETATM 110 H39 UNL 1 0.937 2.181 0.952 1.00 0.00 H |
| HETATM 111 H40 UNL 1 -1.476 3.466 -0.472 1.00 0.00 H |
| HETATM 112 H41 UNL 1 -0.030 2.784 -1.218 1.00 0.00 H |
| HETATM 113 H42 UNL 1 1.378 4.482 -0.098 1.00 0.00 H |
| HETATM 114 H43 UNL 1 0.126 5.213 -1.096 1.00 0.00 H |
| HETATM 115 H44 UNL 1 0.480 5.509 1.785 1.00 0.00 H |
| HETATM 116 H45 UNL 1 -1.530 6.367 -0.923 1.00 0.00 H |
| HETATM 117 H46 UNL 1 -1.895 5.318 3.102 1.00 0.00 H |
| HETATM 118 H47 UNL 1 -3.029 6.514 2.422 1.00 0.00 H |
| HETATM 119 H48 UNL 1 -2.658 0.760 -1.402 1.00 0.00 H |
| HETATM 120 H49 UNL 1 -5.028 1.559 0.285 1.00 0.00 H |
| HETATM 121 H50 UNL 1 -3.825 3.438 -1.106 1.00 0.00 H |
| HETATM 122 H51 UNL 1 -4.094 2.414 -2.526 1.00 0.00 H |
| HETATM 123 H52 UNL 1 -5.702 4.175 -2.412 1.00 0.00 H |
| HETATM 124 H53 UNL 1 -6.459 2.587 -2.431 1.00 0.00 H |
| HETATM 125 H54 UNL 1 -6.010 4.558 -0.126 1.00 0.00 H |
| HETATM 126 H55 UNL 1 -6.694 2.941 0.235 1.00 0.00 H |
| HETATM 127 H56 UNL 1 -7.822 5.130 -1.656 1.00 0.00 H |
| HETATM 128 H57 UNL 1 -8.573 3.514 -1.480 1.00 0.00 H |
| HETATM 129 H58 UNL 1 -7.460 6.418 0.583 1.00 0.00 H |
| HETATM 130 H59 UNL 1 -8.683 5.957 1.831 1.00 0.00 H |
| HETATM 131 H60 UNL 1 -7.248 4.935 1.624 1.00 0.00 H |
| HETATM 132 H61 UNL 1 -10.274 4.185 1.395 1.00 0.00 H |
| HETATM 133 H62 UNL 1 -9.719 2.872 0.346 1.00 0.00 H |
| HETATM 134 H63 UNL 1 -8.732 3.433 1.808 1.00 0.00 H |
| HETATM 135 H64 UNL 1 -10.342 4.979 -1.196 1.00 0.00 H |
| HETATM 136 H65 UNL 1 -10.548 5.885 0.367 1.00 0.00 H |
| HETATM 137 H66 UNL 1 -9.398 6.450 -0.899 1.00 0.00 H |
| HETATM 138 H67 UNL 1 -7.088 0.902 -0.927 1.00 0.00 H |
| HETATM 139 H68 UNL 1 -8.293 -0.145 -2.590 1.00 0.00 H |
| HETATM 140 H69 UNL 1 -7.567 -1.646 -4.267 1.00 0.00 H |
| HETATM 141 H70 UNL 1 -6.824 -0.040 -4.353 1.00 0.00 H |
| HETATM 142 H71 UNL 1 -5.077 -1.334 -4.660 1.00 0.00 H |
| HETATM 143 H72 UNL 1 -6.799 -1.231 0.251 1.00 0.00 H |
| HETATM 144 H73 UNL 1 -7.783 -4.070 -0.164 1.00 0.00 H |
| HETATM 145 H74 UNL 1 -5.491 -3.757 0.579 1.00 0.00 H |
| HETATM 146 H75 UNL 1 -6.091 -5.479 1.617 1.00 0.00 H |
| HETATM 147 H76 UNL 1 -5.637 -2.840 3.230 1.00 0.00 H |
| HETATM 148 H77 UNL 1 -6.707 -1.675 2.266 1.00 0.00 H |
| HETATM 149 H78 UNL 1 -4.995 -1.911 1.824 1.00 0.00 H |
| HETATM 150 H79 UNL 1 -9.172 -1.078 0.559 1.00 0.00 H |
| HETATM 151 H80 UNL 1 -10.470 -1.697 3.067 1.00 0.00 H |
| HETATM 152 H81 UNL 1 -11.105 -0.590 1.767 1.00 0.00 H |
| HETATM 153 H82 UNL 1 -13.777 -2.972 1.643 1.00 0.00 H |
| CONECT 1 2 72 73 74 |
| CONECT 2 3 5 75 |
| CONECT 3 4 4 10 |
| CONECT 5 6 76 77 |
| CONECT 6 7 78 79 |
| CONECT 7 8 80 81 |
| CONECT 8 9 82 83 |
| CONECT 9 84 85 86 |
| CONECT 10 11 87 |
| CONECT 11 12 14 88 |
| CONECT 12 13 13 19 |
| CONECT 14 15 89 90 |
| CONECT 15 16 91 92 |
| CONECT 16 17 17 18 |
| CONECT 18 93 94 |
| CONECT 19 20 95 |
| CONECT 20 21 23 96 |
| CONECT 21 22 22 26 |
| CONECT 23 24 25 97 |
| CONECT 24 98 |
| CONECT 25 99 100 101 |
| CONECT 26 27 102 |
| CONECT 27 28 30 103 |
| CONECT 28 29 29 31 |
| CONECT 30 104 105 106 |
| CONECT 31 32 107 |
| CONECT 32 33 35 108 |
| CONECT 33 34 34 42 |
| CONECT 35 36 109 110 |
| CONECT 36 37 111 112 |
| CONECT 37 38 113 114 |
| CONECT 38 39 115 |
| CONECT 39 40 40 41 |
| CONECT 40 116 |
| CONECT 41 117 118 |
| CONECT 42 43 119 |
| CONECT 43 44 49 120 |
| CONECT 44 45 121 122 |
| CONECT 45 46 123 124 |
| CONECT 46 47 125 126 |
| CONECT 47 48 127 128 |
| CONECT 48 51 52 53 |
| CONECT 49 50 50 54 |
| CONECT 51 129 130 131 |
| CONECT 52 132 133 134 |
| CONECT 53 135 136 137 |
| CONECT 54 55 138 |
| CONECT 55 56 58 139 |
| CONECT 56 57 57 60 |
| CONECT 58 59 140 141 |
| CONECT 59 142 |
| CONECT 60 61 143 |
| CONECT 61 62 64 144 |
| CONECT 62 63 63 67 |
| CONECT 64 65 66 145 |
| CONECT 65 146 |
| CONECT 66 147 148 149 |
| CONECT 67 68 150 |
| CONECT 68 69 151 152 |
| CONECT 69 70 70 71 |
| CONECT 71 153 |
| END |
|
|
