MODEL 1 ATOM 1 F1 LIG 1 -0.041 -3.521 1.090 1.00 0.00 F ATOM 2 C19 LIG 1 1.247 -3.735 1.650 1.00 0.00 C ATOM 3 C21 LIG 1 1.744 -5.030 2.081 1.00 0.00 C ATOM 4 H20 LIG 1 2.764 -5.380 1.953 1.00 0.00 H ATOM 5 H21 LIG 1 1.041 -5.845 1.929 1.00 0.00 H ATOM 6 C22 LIG 1 1.345 -4.017 3.137 1.00 0.00 C ATOM 7 H22 LIG 1 0.451 -4.408 3.617 1.00 0.00 H ATOM 8 H23 LIG 1 2.010 -3.409 3.745 1.00 0.00 H ATOM 9 C18 LIG 1 2.294 -2.815 1.167 1.00 0.00 C ATOM 10 O20 LIG 1 3.145 -2.194 1.733 1.00 0.00 O ATOM 11 N13 LIG 1 2.107 -2.444 -0.126 1.00 0.00 N ATOM 12 H10 LIG 1 1.257 -2.749 -0.584 1.00 0.00 H ATOM 13 C11 LIG 1 2.566 -1.297 -0.821 1.00 0.00 C ATOM 14 H9 LIG 1 3.644 -1.274 -0.621 1.00 0.00 H ATOM 15 C14 LIG 1 2.104 -1.592 -2.316 1.00 0.00 C ATOM 16 C15 LIG 1 2.588 -0.520 -3.360 1.00 0.00 C ATOM 17 H11 LIG 1 3.626 -0.173 -3.284 1.00 0.00 H ATOM 18 H12 LIG 1 1.959 0.345 -3.116 1.00 0.00 H ATOM 19 H13 LIG 1 2.426 -0.802 -4.407 1.00 0.00 H ATOM 20 C16 LIG 1 2.453 -2.990 -2.869 1.00 0.00 C ATOM 21 H14 LIG 1 2.042 -3.219 -3.860 1.00 0.00 H ATOM 22 H15 LIG 1 1.856 -3.748 -2.346 1.00 0.00 H ATOM 23 H16 LIG 1 3.479 -3.375 -2.914 1.00 0.00 H ATOM 24 C17 LIG 1 0.501 -1.559 -2.364 1.00 0.00 C ATOM 25 H17 LIG 1 0.045 -0.571 -2.226 1.00 0.00 H ATOM 26 H18 LIG 1 0.162 -2.325 -1.657 1.00 0.00 H ATOM 27 H19 LIG 1 0.151 -1.976 -3.316 1.00 0.00 H ATOM 28 C10 LIG 1 2.298 0.130 -0.114 1.00 0.00 C ATOM 29 O12 LIG 1 1.220 0.428 0.480 1.00 0.00 O ATOM 30 N7 LIG 1 3.338 1.010 -0.049 1.00 0.00 N ATOM 31 C8 LIG 1 4.748 0.693 -0.265 1.00 0.00 C ATOM 32 H6 LIG 1 5.111 -0.136 0.355 1.00 0.00 H ATOM 33 H7 LIG 1 5.004 0.545 -1.321 1.00 0.00 H ATOM 34 C9 LIG 1 5.541 2.070 -0.079 1.00 0.00 C ATOM 35 O3 LIG 1 6.306 2.097 1.173 1.00 0.00 O ATOM 36 H2 LIG 1 5.915 1.505 1.839 1.00 0.00 H ATOM 37 C5 LIG 1 4.541 3.195 -0.066 1.00 0.00 C ATOM 38 H3 LIG 1 4.804 4.018 0.611 1.00 0.00 H ATOM 39 H4 LIG 1 4.672 3.672 -1.045 1.00 0.00 H ATOM 40 H8 LIG 1 6.114 2.213 -1.003 1.00 0.00 H ATOM 41 C6 LIG 1 3.194 2.540 0.179 1.00 0.00 C ATOM 42 H5 LIG 1 2.928 2.540 1.244 1.00 0.00 H ATOM 43 C4 LIG 1 2.161 3.213 -0.842 1.00 0.00 C ATOM 44 O2 LIG 1 2.007 2.783 -1.907 1.00 0.00 O ATOM 45 N1 LIG 1 1.799 4.494 -0.509 1.00 0.00 N ATOM 46 H1 LIG 1 1.921 4.788 0.452 1.00 0.00 H ATOM 47 C30 LIG 1 1.432 5.482 -1.555 1.00 0.00 C ATOM 48 C23 LIG 1 2.667 6.085 -2.236 1.00 0.00 C ATOM 49 C24 LIG 1 2.988 5.689 -3.464 1.00 0.00 C ATOM 50 H24 LIG 1 2.382 4.974 -4.012 1.00 0.00 H ATOM 51 C25 LIG 1 4.212 6.123 -4.091 1.00 0.00 C ATOM 52 H25 LIG 1 4.434 5.728 -5.078 1.00 0.00 H ATOM 53 C26 LIG 1 4.981 7.066 -3.362 1.00 0.00 C ATOM 54 C27 LIG 1 4.803 7.384 -2.035 1.00 0.00 C ATOM 55 H26 LIG 1 5.566 7.904 -1.464 1.00 0.00 H ATOM 56 C28 LIG 1 3.593 6.879 -1.529 1.00 0.00 C ATOM 57 H27 LIG 1 3.330 7.109 -0.501 1.00 0.00 H ATOM 58 C29 LIG 1 6.323 7.602 -3.777 1.00 0.00 C ATOM 59 C33 LIG 1 6.521 8.531 -4.766 1.00 0.00 C ATOM 60 N34 LIG 1 7.846 8.881 -4.792 1.00 0.00 N ATOM 61 C35 LIG 1 8.685 8.195 -4.049 1.00 0.00 C ATOM 62 H33 LIG 1 9.761 8.078 -4.035 1.00 0.00 H ATOM 63 S36 LIG 1 7.776 6.879 -3.146 1.00 0.00 S ATOM 64 C37 LIG 1 5.509 8.849 -5.886 1.00 0.00 C ATOM 65 H34 LIG 1 5.395 9.902 -6.172 1.00 0.00 H ATOM 66 H35 LIG 1 4.585 8.259 -5.857 1.00 0.00 H ATOM 67 H36 LIG 1 5.859 8.388 -6.817 1.00 0.00 H ATOM 68 H28 LIG 1 0.920 4.943 -2.362 1.00 0.00 H ATOM 69 C31 LIG 1 0.559 6.674 -0.818 1.00 0.00 C ATOM 70 H29 LIG 1 0.650 7.536 -1.491 1.00 0.00 H ATOM 71 H30 LIG 1 0.939 6.980 0.164 1.00 0.00 H ATOM 72 C32 LIG 1 -0.887 6.171 -0.367 1.00 0.00 C ATOM 73 H31 LIG 1 -1.363 5.872 -1.309 1.00 0.00 H ATOM 74 H32 LIG 1 -1.359 6.999 0.177 1.00 0.00 H ATOM 75 C69 LIG 1 -1.012 4.808 0.336 1.00 0.00 C ATOM 76 H64 LIG 1 -0.647 4.027 -0.342 1.00 0.00 H ATOM 77 H65 LIG 1 -0.230 4.887 1.102 1.00 0.00 H ATOM 78 C68 LIG 1 -2.470 4.662 0.663 1.00 0.00 C ATOM 79 H66 LIG 1 -2.868 5.507 1.239 1.00 0.00 H ATOM 80 H67 LIG 1 -3.149 4.584 -0.195 1.00 0.00 H ATOM 81 C67 LIG 1 -2.714 3.467 1.620 1.00 0.00 C ATOM 82 H62 LIG 1 -3.655 3.651 2.139 1.00 0.00 H ATOM 83 H63 LIG 1 -1.967 3.423 2.414 1.00 0.00 H ATOM 84 N44 LIG 1 -2.896 2.204 0.879 1.00 0.00 N ATOM 85 H49 LIG 1 -3.261 2.471 -0.047 1.00 0.00 H ATOM 86 C45 LIG 1 -1.636 1.382 0.665 1.00 0.00 C ATOM 87 H50 LIG 1 -1.034 1.893 -0.088 1.00 0.00 H ATOM 88 H51 LIG 1 -1.053 1.096 1.542 1.00 0.00 H ATOM 89 C46 LIG 1 -1.960 0.068 -0.103 1.00 0.00 C ATOM 90 H52 LIG 1 -1.031 -0.515 -0.104 1.00 0.00 H ATOM 91 H53 LIG 1 -2.164 0.225 -1.170 1.00 0.00 H ATOM 92 C43 LIG 1 -3.934 1.347 1.687 1.00 0.00 C ATOM 93 H47 LIG 1 -3.540 1.105 2.674 1.00 0.00 H ATOM 94 H48 LIG 1 -4.809 2.000 1.664 1.00 0.00 H ATOM 95 C42 LIG 1 -4.303 0.059 0.964 1.00 0.00 C ATOM 96 H45 LIG 1 -4.937 0.207 0.081 1.00 0.00 H ATOM 97 H46 LIG 1 -4.926 -0.531 1.648 1.00 0.00 H ATOM 98 C47 LIG 1 -3.109 -0.788 0.563 1.00 0.00 C ATOM 99 H54 LIG 1 -2.754 -0.973 1.584 1.00 0.00 H ATOM 100 C50 LIG 1 -3.399 -1.993 -0.199 1.00 0.00 C ATOM 101 C51 LIG 1 -2.960 -3.280 0.306 1.00 0.00 C ATOM 102 H57 LIG 1 -2.538 -3.211 1.305 1.00 0.00 H ATOM 103 C52 LIG 1 -2.946 -4.476 -0.492 1.00 0.00 C ATOM 104 H58 LIG 1 -2.456 -5.319 -0.014 1.00 0.00 H ATOM 105 C56 LIG 1 -3.646 -4.468 -1.716 1.00 0.00 C ATOM 106 N60 LIG 1 -4.074 -5.476 -2.389 1.00 0.00 N ATOM 107 C49 LIG 1 -4.065 -2.016 -1.412 1.00 0.00 C ATOM 108 H56 LIG 1 -4.498 -1.114 -1.835 1.00 0.00 H ATOM 109 C55 LIG 1 -4.211 -3.277 -2.133 1.00 0.00 C ATOM 110 N54 LIG 1 -4.738 -3.519 -3.405 1.00 0.00 N ATOM 111 C48 LIG 1 -5.210 -2.517 -4.410 1.00 0.00 C ATOM 112 C40 LIG 1 -4.455 -1.172 -4.390 1.00 0.00 C ATOM 113 C39 LIG 1 -5.511 -0.034 -4.022 1.00 0.00 C ATOM 114 C38 LIG 1 -6.865 -0.675 -3.648 1.00 0.00 C ATOM 115 H37 LIG 1 -7.704 -0.149 -4.121 1.00 0.00 H ATOM 116 H38 LIG 1 -6.818 -0.777 -2.557 1.00 0.00 H ATOM 117 C41 LIG 1 -6.699 -2.207 -4.121 1.00 0.00 C ATOM 118 H43 LIG 1 -7.239 -2.343 -5.066 1.00 0.00 H ATOM 119 H44 LIG 1 -7.150 -2.963 -3.466 1.00 0.00 H ATOM 120 H39 LIG 1 -5.094 0.629 -3.254 1.00 0.00 H ATOM 121 H40 LIG 1 -5.408 0.632 -4.888 1.00 0.00 H ATOM 122 H41 LIG 1 -3.679 -1.165 -3.614 1.00 0.00 H ATOM 123 H42 LIG 1 -4.049 -0.924 -5.378 1.00 0.00 H ATOM 124 H55 LIG 1 -4.954 -3.010 -5.355 1.00 0.00 H ATOM 125 C59 LIG 1 -4.780 -4.940 -3.491 1.00 0.00 C ATOM 126 N58 LIG 1 -4.875 -5.522 -4.634 1.00 0.00 N ATOM 127 C57 LIG 1 -4.288 -6.784 -4.783 1.00 0.00 C ATOM 128 O53 LIG 1 -4.182 -7.185 -5.970 1.00 0.00 O ATOM 129 C61 LIG 1 -3.956 -7.574 -3.554 1.00 0.00 C ATOM 130 C62 LIG 1 -3.923 -6.849 -2.295 1.00 0.00 C ATOM 131 C63 LIG 1 -4.042 -7.505 -1.086 1.00 0.00 C ATOM 132 H59 LIG 1 -4.071 -6.832 -0.234 1.00 0.00 H ATOM 133 C64 LIG 1 -3.938 -8.885 -1.034 1.00 0.00 C ATOM 134 H60 LIG 1 -4.071 -9.400 -0.087 1.00 0.00 H ATOM 135 C65 LIG 1 -3.777 -9.584 -2.197 1.00 0.00 C ATOM 136 H61 LIG 1 -3.557 -10.647 -2.168 1.00 0.00 H ATOM 137 C66 LIG 1 -3.924 -8.968 -3.472 1.00 0.00 C ATOM 138 BR1 LIG 1 -3.623 -9.904 -5.088 1.00 0.00 BR TER 139 LIG 1 ENDMDL MODEL 2 ATOM 1 F1 LIG 1 4.231 2.926 5.520 1.00 0.00 F ATOM 2 C19 LIG 1 3.957 2.102 4.455 1.00 0.00 C ATOM 3 C21 LIG 1 2.429 2.162 4.135 1.00 0.00 C ATOM 4 H20 LIG 1 2.267 2.304 3.070 1.00 0.00 H ATOM 5 H21 LIG 1 2.120 2.944 4.825 1.00 0.00 H ATOM 6 C22 LIG 1 3.112 0.846 4.483 1.00 0.00 C ATOM 7 H22 LIG 1 2.806 0.471 5.457 1.00 0.00 H ATOM 8 H23 LIG 1 3.487 0.063 3.829 1.00 0.00 H ATOM 9 C18 LIG 1 4.852 2.477 3.229 1.00 0.00 C ATOM 10 O20 LIG 1 4.318 2.459 2.099 1.00 0.00 O ATOM 11 N13 LIG 1 6.159 2.818 3.513 1.00 0.00 N ATOM 12 H10 LIG 1 6.346 2.551 4.472 1.00 0.00 H ATOM 13 C11 LIG 1 7.077 3.643 2.749 1.00 0.00 C ATOM 14 H9 LIG 1 6.555 4.518 2.342 1.00 0.00 H ATOM 15 C14 LIG 1 8.227 4.307 3.618 1.00 0.00 C ATOM 16 C15 LIG 1 8.942 5.533 2.879 1.00 0.00 C ATOM 17 H11 LIG 1 8.142 6.163 2.470 1.00 0.00 H ATOM 18 H12 LIG 1 9.773 5.301 2.203 1.00 0.00 H ATOM 19 H13 LIG 1 9.388 6.059 3.732 1.00 0.00 H ATOM 20 C16 LIG 1 7.617 4.844 4.830 1.00 0.00 C ATOM 21 H14 LIG 1 7.120 4.016 5.350 1.00 0.00 H ATOM 22 H15 LIG 1 6.840 5.589 4.618 1.00 0.00 H ATOM 23 H16 LIG 1 8.296 5.332 5.540 1.00 0.00 H ATOM 24 C17 LIG 1 9.284 3.208 3.953 1.00 0.00 C ATOM 25 H17 LIG 1 10.206 3.717 4.262 1.00 0.00 H ATOM 26 H18 LIG 1 9.534 2.581 3.088 1.00 0.00 H ATOM 27 H19 LIG 1 8.972 2.580 4.796 1.00 0.00 H ATOM 28 C10 LIG 1 7.576 2.892 1.418 1.00 0.00 C ATOM 29 O12 LIG 1 8.127 3.534 0.575 1.00 0.00 O ATOM 30 N7 LIG 1 7.098 1.593 1.196 1.00 0.00 N ATOM 31 C8 LIG 1 7.464 0.482 2.106 1.00 0.00 C ATOM 32 H6 LIG 1 8.536 0.580 2.319 1.00 0.00 H ATOM 33 H7 LIG 1 6.808 0.434 2.984 1.00 0.00 H ATOM 34 C9 LIG 1 7.197 -0.806 1.280 1.00 0.00 C ATOM 35 O3 LIG 1 8.498 -1.201 0.630 1.00 0.00 O ATOM 36 H2 LIG 1 9.174 -0.521 0.467 1.00 0.00 H ATOM 37 C5 LIG 1 6.229 -0.231 0.133 1.00 0.00 C ATOM 38 H3 LIG 1 6.428 -1.001 -0.622 1.00 0.00 H ATOM 39 H4 LIG 1 5.145 -0.256 0.297 1.00 0.00 H ATOM 40 H8 LIG 1 6.758 -1.608 1.885 1.00 0.00 H ATOM 41 C6 LIG 1 6.819 1.149 -0.231 1.00 0.00 C ATOM 42 H5 LIG 1 7.836 1.003 -0.616 1.00 0.00 H ATOM 43 C4 LIG 1 5.987 2.086 -1.060 1.00 0.00 C ATOM 44 O2 LIG 1 6.267 2.394 -2.203 1.00 0.00 O ATOM 45 N1 LIG 1 4.915 2.723 -0.571 1.00 0.00 N ATOM 46 H1 LIG 1 4.769 2.471 0.399 1.00 0.00 H ATOM 47 C30 LIG 1 3.778 3.128 -1.431 1.00 0.00 C ATOM 48 C23 LIG 1 3.835 4.614 -1.941 1.00 0.00 C ATOM 49 C24 LIG 1 2.870 5.520 -1.327 1.00 0.00 C ATOM 50 H24 LIG 1 2.183 5.273 -0.524 1.00 0.00 H ATOM 51 C25 LIG 1 2.643 6.764 -2.051 1.00 0.00 C ATOM 52 H25 LIG 1 1.820 7.409 -1.760 1.00 0.00 H ATOM 53 C26 LIG 1 3.682 7.268 -2.851 1.00 0.00 C ATOM 54 C27 LIG 1 4.706 6.485 -3.281 1.00 0.00 C ATOM 55 H26 LIG 1 5.491 6.931 -3.883 1.00 0.00 H ATOM 56 C28 LIG 1 4.733 5.091 -2.921 1.00 0.00 C ATOM 57 H27 LIG 1 5.504 4.396 -3.242 1.00 0.00 H ATOM 58 C29 LIG 1 3.451 8.605 -3.397 1.00 0.00 C ATOM 59 C33 LIG 1 3.565 9.662 -2.589 1.00 0.00 C ATOM 60 N34 LIG 1 3.557 10.947 -3.219 1.00 0.00 N ATOM 61 C35 LIG 1 3.247 10.770 -4.493 1.00 0.00 C ATOM 62 H33 LIG 1 3.301 11.511 -5.280 1.00 0.00 H ATOM 63 S36 LIG 1 2.975 9.171 -4.963 1.00 0.00 S ATOM 64 C37 LIG 1 4.058 9.572 -1.109 1.00 0.00 C ATOM 65 H34 LIG 1 5.135 9.379 -1.034 1.00 0.00 H ATOM 66 H35 LIG 1 3.590 8.716 -0.608 1.00 0.00 H ATOM 67 H36 LIG 1 3.707 10.530 -0.708 1.00 0.00 H ATOM 68 H28 LIG 1 3.753 2.525 -2.347 1.00 0.00 H ATOM 69 C31 LIG 1 2.535 2.803 -0.636 1.00 0.00 C ATOM 70 H29 LIG 1 1.631 3.142 -1.157 1.00 0.00 H ATOM 71 H30 LIG 1 2.541 3.214 0.381 1.00 0.00 H ATOM 72 C32 LIG 1 2.313 1.260 -0.478 1.00 0.00 C ATOM 73 H31 LIG 1 3.132 0.756 0.049 1.00 0.00 H ATOM 74 H32 LIG 1 2.554 0.915 -1.491 1.00 0.00 H ATOM 75 C69 LIG 1 0.886 0.850 -0.074 1.00 0.00 C ATOM 76 H64 LIG 1 0.978 1.149 0.978 1.00 0.00 H ATOM 77 H65 LIG 1 0.164 1.541 -0.526 1.00 0.00 H ATOM 78 C68 LIG 1 0.535 -0.671 -0.362 1.00 0.00 C ATOM 79 H66 LIG 1 0.698 -0.737 -1.445 1.00 0.00 H ATOM 80 H67 LIG 1 1.256 -1.314 0.159 1.00 0.00 H ATOM 81 C67 LIG 1 -0.898 -0.881 0.030 1.00 0.00 C ATOM 82 H62 LIG 1 -1.260 0.122 0.265 1.00 0.00 H ATOM 83 H63 LIG 1 -0.977 -1.363 1.005 1.00 0.00 H ATOM 84 N44 LIG 1 -1.829 -1.666 -0.920 1.00 0.00 N ATOM 85 H49 LIG 1 -1.375 -1.648 -1.845 1.00 0.00 H ATOM 86 C45 LIG 1 -2.119 -2.927 -0.420 1.00 0.00 C ATOM 87 H50 LIG 1 -1.233 -3.511 -0.164 1.00 0.00 H ATOM 88 H51 LIG 1 -2.610 -2.817 0.548 1.00 0.00 H ATOM 89 C46 LIG 1 -3.022 -3.651 -1.342 1.00 0.00 C ATOM 90 H52 LIG 1 -3.251 -4.694 -1.091 1.00 0.00 H ATOM 91 H53 LIG 1 -2.607 -3.821 -2.344 1.00 0.00 H ATOM 92 C43 LIG 1 -3.079 -0.837 -1.120 1.00 0.00 C ATOM 93 H47 LIG 1 -3.426 -0.699 -0.095 1.00 0.00 H ATOM 94 H48 LIG 1 -2.861 0.175 -1.464 1.00 0.00 H ATOM 95 C42 LIG 1 -4.228 -1.497 -1.861 1.00 0.00 C ATOM 96 H45 LIG 1 -4.146 -1.458 -2.954 1.00 0.00 H ATOM 97 H46 LIG 1 -5.210 -1.009 -1.866 1.00 0.00 H ATOM 98 C47 LIG 1 -4.416 -3.000 -1.354 1.00 0.00 C ATOM 99 H54 LIG 1 -4.731 -2.950 -0.305 1.00 0.00 H ATOM 100 C50 LIG 1 -5.443 -3.894 -2.112 1.00 0.00 C ATOM 101 C51 LIG 1 -6.268 -4.764 -1.372 1.00 0.00 C ATOM 102 H57 LIG 1 -6.050 -4.753 -0.309 1.00 0.00 H ATOM 103 C52 LIG 1 -7.352 -5.385 -2.010 1.00 0.00 C ATOM 104 H58 LIG 1 -7.949 -6.089 -1.437 1.00 0.00 H ATOM 105 C56 LIG 1 -7.623 -5.066 -3.344 1.00 0.00 C ATOM 106 N60 LIG 1 -8.587 -5.664 -4.222 1.00 0.00 N ATOM 107 C49 LIG 1 -5.622 -3.854 -3.490 1.00 0.00 C ATOM 108 H56 LIG 1 -4.961 -3.214 -4.067 1.00 0.00 H ATOM 109 C55 LIG 1 -6.726 -4.436 -4.079 1.00 0.00 C ATOM 110 N54 LIG 1 -6.903 -4.647 -5.427 1.00 0.00 N ATOM 111 C48 LIG 1 -5.942 -4.342 -6.588 1.00 0.00 C ATOM 112 C40 LIG 1 -4.517 -4.987 -6.676 1.00 0.00 C ATOM 113 C39 LIG 1 -3.543 -4.096 -7.436 1.00 0.00 C ATOM 114 C38 LIG 1 -4.499 -2.979 -7.869 1.00 0.00 C ATOM 115 H37 LIG 1 -4.889 -3.304 -8.842 1.00 0.00 H ATOM 116 H38 LIG 1 -3.896 -2.080 -8.045 1.00 0.00 H ATOM 117 C41 LIG 1 -5.562 -2.867 -6.822 1.00 0.00 C ATOM 118 H43 LIG 1 -6.479 -2.477 -7.279 1.00 0.00 H ATOM 119 H44 LIG 1 -5.313 -2.256 -5.946 1.00 0.00 H ATOM 120 H39 LIG 1 -2.749 -3.588 -6.875 1.00 0.00 H ATOM 121 H40 LIG 1 -3.016 -4.609 -8.250 1.00 0.00 H ATOM 122 H41 LIG 1 -4.144 -4.979 -5.645 1.00 0.00 H ATOM 123 H42 LIG 1 -4.306 -5.974 -7.105 1.00 0.00 H ATOM 124 H55 LIG 1 -6.511 -4.629 -7.481 1.00 0.00 H ATOM 125 C59 LIG 1 -8.036 -5.461 -5.545 1.00 0.00 C ATOM 126 N58 LIG 1 -7.914 -6.409 -6.499 1.00 0.00 N ATOM 127 C57 LIG 1 -8.645 -7.573 -6.359 1.00 0.00 C ATOM 128 O53 LIG 1 -8.685 -8.192 -7.412 1.00 0.00 O ATOM 129 C61 LIG 1 -9.319 -7.844 -5.017 1.00 0.00 C ATOM 130 C62 LIG 1 -9.400 -6.816 -3.988 1.00 0.00 C ATOM 131 C63 LIG 1 -10.258 -6.995 -2.848 1.00 0.00 C ATOM 132 H59 LIG 1 -10.355 -6.208 -2.106 1.00 0.00 H ATOM 133 C64 LIG 1 -11.069 -8.196 -2.745 1.00 0.00 C ATOM 134 H60 LIG 1 -11.820 -8.046 -1.976 1.00 0.00 H ATOM 135 C65 LIG 1 -10.764 -9.257 -3.585 1.00 0.00 C ATOM 136 H61 LIG 1 -11.237 -10.224 -3.438 1.00 0.00 H ATOM 137 C66 LIG 1 -9.916 -9.130 -4.728 1.00 0.00 C ATOM 138 BR1 LIG 1 -9.474 -10.636 -5.685 1.00 0.00 BR TER 139 LIG 1 ENDMDL MODEL 3 ATOM 1 F1 LIG 1 3.096 2.680 -1.249 1.00 0.00 F ATOM 2 C19 LIG 1 2.279 3.307 -2.221 1.00 0.00 C ATOM 3 C21 LIG 1 2.450 2.753 -3.626 1.00 0.00 C ATOM 4 H20 LIG 1 1.659 2.880 -4.360 1.00 0.00 H ATOM 5 H21 LIG 1 3.200 1.971 -3.724 1.00 0.00 H ATOM 6 C22 LIG 1 3.007 4.083 -3.219 1.00 0.00 C ATOM 7 H22 LIG 1 4.089 4.038 -3.134 1.00 0.00 H ATOM 8 H23 LIG 1 2.627 5.082 -3.420 1.00 0.00 H ATOM 9 C18 LIG 1 0.883 3.646 -1.750 1.00 0.00 C ATOM 10 O20 LIG 1 0.788 4.450 -0.835 1.00 0.00 O ATOM 11 N13 LIG 1 -0.267 3.009 -2.240 1.00 0.00 N ATOM 12 H10 LIG 1 -0.119 2.251 -2.895 1.00 0.00 H ATOM 13 C11 LIG 1 -1.667 3.183 -1.989 1.00 0.00 C ATOM 14 H9 LIG 1 -1.778 4.274 -1.959 1.00 0.00 H ATOM 15 C14 LIG 1 -2.562 2.652 -3.218 1.00 0.00 C ATOM 16 C15 LIG 1 -4.077 3.151 -2.922 1.00 0.00 C ATOM 17 H11 LIG 1 -4.550 2.759 -2.013 1.00 0.00 H ATOM 18 H12 LIG 1 -4.660 2.748 -3.759 1.00 0.00 H ATOM 19 H13 LIG 1 -4.288 4.226 -2.972 1.00 0.00 H ATOM 20 C16 LIG 1 -2.127 3.101 -4.641 1.00 0.00 C ATOM 21 H14 LIG 1 -1.144 2.647 -4.811 1.00 0.00 H ATOM 22 H15 LIG 1 -1.914 4.168 -4.779 1.00 0.00 H ATOM 23 H16 LIG 1 -2.662 2.839 -5.562 1.00 0.00 H ATOM 24 C17 LIG 1 -2.628 1.089 -3.126 1.00 0.00 C ATOM 25 H17 LIG 1 -1.636 0.657 -2.945 1.00 0.00 H ATOM 26 H18 LIG 1 -2.982 0.652 -4.068 1.00 0.00 H ATOM 27 H19 LIG 1 -3.391 0.808 -2.390 1.00 0.00 H ATOM 28 C10 LIG 1 -2.174 2.808 -0.512 1.00 0.00 C ATOM 29 O12 LIG 1 -2.262 1.645 -0.246 1.00 0.00 O ATOM 30 N7 LIG 1 -2.746 3.768 0.318 1.00 0.00 N ATOM 31 C8 LIG 1 -2.411 5.223 0.285 1.00 0.00 C ATOM 32 H6 LIG 1 -1.319 5.286 0.359 1.00 0.00 H ATOM 33 H7 LIG 1 -2.999 5.589 -0.565 1.00 0.00 H ATOM 34 C9 LIG 1 -3.063 5.883 1.527 1.00 0.00 C ATOM 35 O3 LIG 1 -2.108 5.994 2.615 1.00 0.00 O ATOM 36 H2 LIG 1 -1.777 6.908 2.633 1.00 0.00 H ATOM 37 C5 LIG 1 -4.216 4.987 1.933 1.00 0.00 C ATOM 38 H3 LIG 1 -4.400 4.997 3.015 1.00 0.00 H ATOM 39 H4 LIG 1 -5.183 5.142 1.439 1.00 0.00 H ATOM 40 H8 LIG 1 -3.431 6.863 1.200 1.00 0.00 H ATOM 41 C6 LIG 1 -3.547 3.612 1.540 1.00 0.00 C ATOM 42 H5 LIG 1 -2.776 3.370 2.282 1.00 0.00 H ATOM 43 C4 LIG 1 -4.562 2.415 1.388 1.00 0.00 C ATOM 44 O2 LIG 1 -5.660 2.441 0.836 1.00 0.00 O ATOM 45 N1 LIG 1 -4.167 1.515 2.272 1.00 0.00 N ATOM 46 H1 LIG 1 -3.197 1.503 2.562 1.00 0.00 H ATOM 47 C30 LIG 1 -5.222 0.954 3.216 1.00 0.00 C ATOM 48 C23 LIG 1 -5.808 1.981 4.172 1.00 0.00 C ATOM 49 C24 LIG 1 -7.209 2.262 4.103 1.00 0.00 C ATOM 50 H24 LIG 1 -7.777 1.693 3.372 1.00 0.00 H ATOM 51 C25 LIG 1 -7.758 3.176 5.026 1.00 0.00 C ATOM 52 H25 LIG 1 -8.825 3.362 5.102 1.00 0.00 H ATOM 53 C26 LIG 1 -7.017 3.900 5.955 1.00 0.00 C ATOM 54 C27 LIG 1 -5.612 3.892 5.781 1.00 0.00 C ATOM 55 H26 LIG 1 -5.004 4.455 6.483 1.00 0.00 H ATOM 56 C28 LIG 1 -5.054 2.929 4.854 1.00 0.00 C ATOM 57 H27 LIG 1 -3.982 2.761 4.910 1.00 0.00 H ATOM 58 C29 LIG 1 -7.545 4.711 7.019 1.00 0.00 C ATOM 59 C33 LIG 1 -7.496 4.423 8.337 1.00 0.00 C ATOM 60 N34 LIG 1 -8.025 5.405 9.142 1.00 0.00 N ATOM 61 C35 LIG 1 -8.095 6.567 8.480 1.00 0.00 C ATOM 62 H33 LIG 1 -8.178 7.519 8.987 1.00 0.00 H ATOM 63 S36 LIG 1 -7.937 6.407 6.808 1.00 0.00 S ATOM 64 C37 LIG 1 -7.186 3.037 8.731 1.00 0.00 C ATOM 65 H34 LIG 1 -7.708 2.448 7.968 1.00 0.00 H ATOM 66 H35 LIG 1 -7.440 2.798 9.771 1.00 0.00 H ATOM 67 H36 LIG 1 -6.137 2.798 8.517 1.00 0.00 H ATOM 68 H28 LIG 1 -6.053 0.476 2.684 1.00 0.00 H ATOM 69 C31 LIG 1 -4.573 -0.357 3.924 1.00 0.00 C ATOM 70 H29 LIG 1 -5.258 -0.593 4.747 1.00 0.00 H ATOM 71 H30 LIG 1 -3.576 -0.201 4.353 1.00 0.00 H ATOM 72 C32 LIG 1 -4.431 -1.588 2.943 1.00 0.00 C ATOM 73 H31 LIG 1 -3.847 -1.117 2.141 1.00 0.00 H ATOM 74 H32 LIG 1 -5.377 -1.791 2.427 1.00 0.00 H ATOM 75 C69 LIG 1 -3.955 -3.037 3.470 1.00 0.00 C ATOM 76 H64 LIG 1 -2.939 -2.981 3.881 1.00 0.00 H ATOM 77 C70 LIG 1 -5.031 -3.593 4.475 1.00 0.00 C ATOM 78 H67 LIG 1 -6.069 -3.518 4.129 1.00 0.00 H ATOM 79 H68 LIG 1 -5.024 -3.067 5.437 1.00 0.00 H ATOM 80 H69 LIG 1 -4.885 -4.617 4.839 1.00 0.00 H ATOM 81 C68 LIG 1 -3.538 -3.995 2.357 1.00 0.00 C ATOM 82 H65 LIG 1 -3.404 -5.011 2.749 1.00 0.00 H ATOM 83 H66 LIG 1 -4.259 -4.040 1.532 1.00 0.00 H ATOM 84 C67 LIG 1 -2.240 -3.535 1.652 1.00 0.00 C ATOM 85 H62 LIG 1 -1.394 -3.591 2.339 1.00 0.00 H ATOM 86 H63 LIG 1 -2.395 -2.493 1.370 1.00 0.00 H ATOM 87 N44 LIG 1 -1.961 -4.221 0.341 1.00 0.00 N ATOM 88 H49 LIG 1 -2.747 -4.874 0.208 1.00 0.00 H ATOM 89 C45 LIG 1 -1.956 -3.163 -0.658 1.00 0.00 C ATOM 90 H50 LIG 1 -2.989 -2.917 -0.907 1.00 0.00 H ATOM 91 H51 LIG 1 -1.622 -2.185 -0.307 1.00 0.00 H ATOM 92 C46 LIG 1 -1.170 -3.448 -1.990 1.00 0.00 C ATOM 93 H52 LIG 1 -1.214 -2.541 -2.606 1.00 0.00 H ATOM 94 H53 LIG 1 -1.666 -4.223 -2.587 1.00 0.00 H ATOM 95 C43 LIG 1 -0.511 -4.791 0.462 1.00 0.00 C ATOM 96 H47 LIG 1 0.069 -4.022 0.974 1.00 0.00 H ATOM 97 H48 LIG 1 -0.478 -5.727 1.022 1.00 0.00 H ATOM 98 C42 LIG 1 0.212 -5.076 -0.825 1.00 0.00 C ATOM 99 H45 LIG 1 -0.268 -5.975 -1.233 1.00 0.00 H ATOM 100 H46 LIG 1 1.165 -5.467 -0.448 1.00 0.00 H ATOM 101 C47 LIG 1 0.236 -4.038 -1.796 1.00 0.00 C ATOM 102 H54 LIG 1 0.804 -3.265 -1.264 1.00 0.00 H ATOM 103 C50 LIG 1 0.985 -4.390 -3.111 1.00 0.00 C ATOM 104 C51 LIG 1 2.428 -4.529 -3.024 1.00 0.00 C ATOM 105 H57 LIG 1 2.952 -4.392 -2.083 1.00 0.00 H ATOM 106 C52 LIG 1 3.188 -4.715 -4.158 1.00 0.00 C ATOM 107 H58 LIG 1 4.262 -4.670 -4.007 1.00 0.00 H ATOM 108 C56 LIG 1 2.500 -4.719 -5.373 1.00 0.00 C ATOM 109 N60 LIG 1 3.053 -4.992 -6.636 1.00 0.00 N ATOM 110 C49 LIG 1 0.348 -4.450 -4.371 1.00 0.00 C ATOM 111 H56 LIG 1 -0.725 -4.332 -4.489 1.00 0.00 H ATOM 112 C55 LIG 1 1.122 -4.595 -5.518 1.00 0.00 C ATOM 113 N54 LIG 1 0.819 -4.345 -6.841 1.00 0.00 N ATOM 114 C48 LIG 1 -0.444 -3.814 -7.455 1.00 0.00 C ATOM 115 C40 LIG 1 -0.954 -2.396 -6.926 1.00 0.00 C ATOM 116 C39 LIG 1 -2.426 -2.547 -6.508 1.00 0.00 C ATOM 117 C38 LIG 1 -2.778 -4.106 -6.560 1.00 0.00 C ATOM 118 H37 LIG 1 -3.736 -4.210 -7.083 1.00 0.00 H ATOM 119 H38 LIG 1 -2.886 -4.433 -5.519 1.00 0.00 H ATOM 120 C41 LIG 1 -1.601 -4.838 -7.374 1.00 0.00 C ATOM 121 H43 LIG 1 -1.951 -4.994 -8.402 1.00 0.00 H ATOM 122 H44 LIG 1 -1.203 -5.782 -6.983 1.00 0.00 H ATOM 123 H39 LIG 1 -2.649 -1.971 -5.601 1.00 0.00 H ATOM 124 H40 LIG 1 -3.059 -2.029 -7.238 1.00 0.00 H ATOM 125 H41 LIG 1 -0.299 -2.172 -6.075 1.00 0.00 H ATOM 126 H42 LIG 1 -0.870 -1.705 -7.774 1.00 0.00 H ATOM 127 H55 LIG 1 -0.208 -3.689 -8.519 1.00 0.00 H ATOM 128 C59 LIG 1 2.096 -4.399 -7.480 1.00 0.00 C ATOM 129 N58 LIG 1 2.306 -4.098 -8.731 1.00 0.00 N ATOM 130 C57 LIG 1 3.617 -4.031 -9.210 1.00 0.00 C ATOM 131 O53 LIG 1 3.797 -3.451 -10.219 1.00 0.00 O ATOM 132 C61 LIG 1 4.710 -4.530 -8.351 1.00 0.00 C ATOM 133 C62 LIG 1 4.389 -5.188 -7.116 1.00 0.00 C ATOM 134 C63 LIG 1 5.313 -5.881 -6.356 1.00 0.00 C ATOM 135 H59 LIG 1 5.194 -6.563 -5.519 1.00 0.00 H ATOM 136 C64 LIG 1 6.647 -5.831 -6.734 1.00 0.00 C ATOM 137 H60 LIG 1 7.371 -6.486 -6.257 1.00 0.00 H ATOM 138 C65 LIG 1 6.970 -5.259 -7.941 1.00 0.00 C ATOM 139 H61 LIG 1 8.009 -5.258 -8.258 1.00 0.00 H ATOM 140 C66 LIG 1 6.052 -4.572 -8.758 1.00 0.00 C ATOM 141 BR1 LIG 1 6.782 -3.838 -10.328 1.00 0.00 BR TER 142 LIG 1 ENDMDL MODEL 4 ATOM 1 F1 LIG 1 -1.409 8.859 2.172 1.00 0.00 F ATOM 2 C19 LIG 1 -0.099 8.580 1.869 1.00 0.00 C ATOM 3 C21 LIG 1 0.958 9.607 1.630 1.00 0.00 C ATOM 4 H20 LIG 1 1.996 9.415 1.890 1.00 0.00 H ATOM 5 H21 LIG 1 0.601 10.579 1.959 1.00 0.00 H ATOM 6 C22 LIG 1 0.429 8.824 0.506 1.00 0.00 C ATOM 7 H22 LIG 1 -0.248 9.238 -0.238 1.00 0.00 H ATOM 8 H23 LIG 1 1.125 8.171 -0.014 1.00 0.00 H ATOM 9 C18 LIG 1 0.262 7.349 2.706 1.00 0.00 C ATOM 10 O20 LIG 1 1.151 7.465 3.590 1.00 0.00 O ATOM 11 N13 LIG 1 -0.588 6.300 2.750 1.00 0.00 N ATOM 12 H10 LIG 1 -1.376 6.489 2.142 1.00 0.00 H ATOM 13 C11 LIG 1 -0.536 5.222 3.693 1.00 0.00 C ATOM 14 H9 LIG 1 0.489 5.251 4.081 1.00 0.00 H ATOM 15 C14 LIG 1 -1.683 5.470 4.852 1.00 0.00 C ATOM 16 C15 LIG 1 -3.124 5.668 4.245 1.00 0.00 C ATOM 17 H11 LIG 1 -3.796 5.853 5.092 1.00 0.00 H ATOM 18 H12 LIG 1 -3.305 4.730 3.706 1.00 0.00 H ATOM 19 H13 LIG 1 -3.264 6.479 3.520 1.00 0.00 H ATOM 20 C16 LIG 1 -1.592 4.399 6.006 1.00 0.00 C ATOM 21 H14 LIG 1 -2.246 4.716 6.827 1.00 0.00 H ATOM 22 H15 LIG 1 -0.564 4.398 6.389 1.00 0.00 H ATOM 23 H16 LIG 1 -1.953 3.384 5.801 1.00 0.00 H ATOM 24 C17 LIG 1 -1.400 6.795 5.482 1.00 0.00 C ATOM 25 H17 LIG 1 -1.187 7.612 4.782 1.00 0.00 H ATOM 26 H18 LIG 1 -0.514 6.804 6.129 1.00 0.00 H ATOM 27 H19 LIG 1 -2.191 7.094 6.180 1.00 0.00 H ATOM 28 C10 LIG 1 -0.569 3.842 3.034 1.00 0.00 C ATOM 29 O12 LIG 1 -0.305 2.796 3.596 1.00 0.00 O ATOM 30 N7 LIG 1 -0.842 3.731 1.666 1.00 0.00 N ATOM 31 C8 LIG 1 0.190 3.400 0.659 1.00 0.00 C ATOM 32 H6 LIG 1 1.034 4.043 0.937 1.00 0.00 H ATOM 33 H7 LIG 1 0.419 2.328 0.673 1.00 0.00 H ATOM 34 C9 LIG 1 -0.422 3.683 -0.683 1.00 0.00 C ATOM 35 O3 LIG 1 0.402 4.099 -1.767 1.00 0.00 O ATOM 36 H2 LIG 1 -0.063 4.808 -2.245 1.00 0.00 H ATOM 37 C5 LIG 1 -1.648 4.555 -0.303 1.00 0.00 C ATOM 38 H3 LIG 1 -1.337 5.595 -0.462 1.00 0.00 H ATOM 39 H4 LIG 1 -2.381 4.305 -1.079 1.00 0.00 H ATOM 40 H8 LIG 1 -0.809 2.719 -1.036 1.00 0.00 H ATOM 41 C6 LIG 1 -2.169 4.093 1.057 1.00 0.00 C ATOM 42 H5 LIG 1 -2.631 4.880 1.666 1.00 0.00 H ATOM 43 C4 LIG 1 -3.121 2.882 1.026 1.00 0.00 C ATOM 44 O2 LIG 1 -3.805 2.783 0.031 1.00 0.00 O ATOM 45 N1 LIG 1 -3.047 2.056 2.037 1.00 0.00 N ATOM 46 H1 LIG 1 -2.519 2.370 2.843 1.00 0.00 H ATOM 47 C30 LIG 1 -4.168 1.256 2.570 1.00 0.00 C ATOM 48 C23 LIG 1 -5.004 2.262 3.386 1.00 0.00 C ATOM 49 C24 LIG 1 -6.213 2.757 2.900 1.00 0.00 C ATOM 50 H24 LIG 1 -6.443 2.500 1.870 1.00 0.00 H ATOM 51 C25 LIG 1 -6.896 3.790 3.630 1.00 0.00 C ATOM 52 H25 LIG 1 -7.729 4.255 3.111 1.00 0.00 H ATOM 53 C26 LIG 1 -6.575 4.088 4.949 1.00 0.00 C ATOM 54 C27 LIG 1 -5.648 3.278 5.531 1.00 0.00 C ATOM 55 H26 LIG 1 -5.473 3.278 6.603 1.00 0.00 H ATOM 56 C28 LIG 1 -4.786 2.493 4.715 1.00 0.00 C ATOM 57 H27 LIG 1 -3.877 2.126 5.182 1.00 0.00 H ATOM 58 C29 LIG 1 -7.385 4.961 5.785 1.00 0.00 C ATOM 59 C33 LIG 1 -8.417 4.387 6.561 1.00 0.00 C ATOM 60 N34 LIG 1 -9.300 5.246 6.991 1.00 0.00 N ATOM 61 C35 LIG 1 -9.154 6.354 6.234 1.00 0.00 C ATOM 62 H33 LIG 1 -9.846 7.186 6.237 1.00 0.00 H ATOM 63 S36 LIG 1 -7.956 6.342 5.008 1.00 0.00 S ATOM 64 C37 LIG 1 -8.211 2.959 7.125 1.00 0.00 C ATOM 65 H34 LIG 1 -8.449 2.292 6.288 1.00 0.00 H ATOM 66 H35 LIG 1 -8.745 2.821 8.073 1.00 0.00 H ATOM 67 H36 LIG 1 -7.206 2.554 7.294 1.00 0.00 H ATOM 68 H28 LIG 1 -4.846 1.049 1.733 1.00 0.00 H ATOM 69 C31 LIG 1 -3.697 -0.116 3.093 1.00 0.00 C ATOM 70 H29 LIG 1 -4.518 -0.629 3.609 1.00 0.00 H ATOM 71 H30 LIG 1 -2.881 -0.069 3.824 1.00 0.00 H ATOM 72 C32 LIG 1 -3.264 -1.104 1.964 1.00 0.00 C ATOM 73 H31 LIG 1 -3.903 -0.925 1.091 1.00 0.00 H ATOM 74 H32 LIG 1 -3.350 -2.092 2.431 1.00 0.00 H ATOM 75 C69 LIG 1 -1.763 -0.933 1.503 1.00 0.00 C ATOM 76 H64 LIG 1 -1.547 0.125 1.311 1.00 0.00 H ATOM 77 C70 LIG 1 -0.816 -1.121 2.788 1.00 0.00 C ATOM 78 H67 LIG 1 -0.634 -0.256 3.438 1.00 0.00 H ATOM 79 H68 LIG 1 0.156 -1.605 2.634 1.00 0.00 H ATOM 80 H69 LIG 1 -1.397 -1.663 3.544 1.00 0.00 H ATOM 81 C68 LIG 1 -1.369 -1.939 0.441 1.00 0.00 C ATOM 82 H65 LIG 1 -0.338 -1.692 0.161 1.00 0.00 H ATOM 83 H66 LIG 1 -1.300 -2.972 0.804 1.00 0.00 H ATOM 84 C67 LIG 1 -2.137 -1.803 -0.882 1.00 0.00 C ATOM 85 H62 LIG 1 -1.992 -0.780 -1.235 1.00 0.00 H ATOM 86 H63 LIG 1 -3.209 -2.000 -0.921 1.00 0.00 H ATOM 87 N44 LIG 1 -1.564 -2.554 -2.102 1.00 0.00 N ATOM 88 H49 LIG 1 -0.578 -2.263 -2.174 1.00 0.00 H ATOM 89 C45 LIG 1 -1.540 -4.097 -1.936 1.00 0.00 C ATOM 90 H50 LIG 1 -0.915 -4.318 -1.070 1.00 0.00 H ATOM 91 H51 LIG 1 -2.523 -4.447 -1.615 1.00 0.00 H ATOM 92 C46 LIG 1 -0.977 -4.845 -3.117 1.00 0.00 C ATOM 93 H52 LIG 1 -1.415 -5.823 -2.884 1.00 0.00 H ATOM 94 H53 LIG 1 0.104 -4.992 -3.225 1.00 0.00 H ATOM 95 C43 LIG 1 -2.400 -2.212 -3.290 1.00 0.00 C ATOM 96 H47 LIG 1 -3.376 -2.687 -3.174 1.00 0.00 H ATOM 97 H48 LIG 1 -2.453 -1.124 -3.357 1.00 0.00 H ATOM 98 C42 LIG 1 -1.847 -2.773 -4.575 1.00 0.00 C ATOM 99 H45 LIG 1 -1.043 -2.062 -4.806 1.00 0.00 H ATOM 100 H46 LIG 1 -2.627 -2.806 -5.345 1.00 0.00 H ATOM 101 C47 LIG 1 -1.580 -4.263 -4.475 1.00 0.00 C ATOM 102 H54 LIG 1 -2.539 -4.764 -4.662 1.00 0.00 H ATOM 103 C50 LIG 1 -0.529 -4.598 -5.548 1.00 0.00 C ATOM 104 C51 LIG 1 0.813 -4.001 -5.601 1.00 0.00 C ATOM 105 H57 LIG 1 1.162 -3.154 -5.017 1.00 0.00 H ATOM 106 C52 LIG 1 1.765 -4.421 -6.568 1.00 0.00 C ATOM 107 H58 LIG 1 2.828 -4.283 -6.393 1.00 0.00 H ATOM 108 C56 LIG 1 1.381 -5.499 -7.399 1.00 0.00 C ATOM 109 N60 LIG 1 2.088 -6.361 -8.240 1.00 0.00 N ATOM 110 C49 LIG 1 -0.929 -5.523 -6.468 1.00 0.00 C ATOM 111 H56 LIG 1 -1.795 -6.154 -6.295 1.00 0.00 H ATOM 112 C55 LIG 1 0.061 -6.024 -7.271 1.00 0.00 C ATOM 113 N54 LIG 1 0.062 -7.315 -7.782 1.00 0.00 N ATOM 114 C48 LIG 1 -0.816 -8.450 -7.206 1.00 0.00 C ATOM 115 C40 LIG 1 -2.355 -8.465 -7.439 1.00 0.00 C ATOM 116 C39 LIG 1 -3.108 -8.498 -6.057 1.00 0.00 C ATOM 117 C38 LIG 1 -1.973 -9.224 -5.169 1.00 0.00 C ATOM 118 H37 LIG 1 -1.913 -10.276 -5.475 1.00 0.00 H ATOM 119 H38 LIG 1 -2.302 -9.274 -4.123 1.00 0.00 H ATOM 120 C41 LIG 1 -0.620 -8.673 -5.618 1.00 0.00 C ATOM 121 H43 LIG 1 0.193 -9.403 -5.521 1.00 0.00 H ATOM 122 H44 LIG 1 -0.501 -7.686 -5.155 1.00 0.00 H ATOM 123 H39 LIG 1 -3.305 -7.509 -5.625 1.00 0.00 H ATOM 124 H40 LIG 1 -4.028 -9.093 -6.014 1.00 0.00 H ATOM 125 H41 LIG 1 -2.603 -7.577 -8.033 1.00 0.00 H ATOM 126 H42 LIG 1 -2.633 -9.316 -8.074 1.00 0.00 H ATOM 127 H55 LIG 1 -0.500 -9.322 -7.791 1.00 0.00 H ATOM 128 C59 LIG 1 1.315 -7.483 -8.495 1.00 0.00 C ATOM 129 N58 LIG 1 1.988 -8.591 -8.763 1.00 0.00 N ATOM 130 C57 LIG 1 3.248 -8.480 -9.307 1.00 0.00 C ATOM 131 O53 LIG 1 3.866 -9.482 -9.462 1.00 0.00 O ATOM 132 C61 LIG 1 3.864 -7.140 -9.649 1.00 0.00 C ATOM 133 C62 LIG 1 3.190 -6.084 -9.018 1.00 0.00 C ATOM 134 C63 LIG 1 3.616 -4.711 -9.271 1.00 0.00 C ATOM 135 H59 LIG 1 3.106 -3.821 -8.915 1.00 0.00 H ATOM 136 C64 LIG 1 4.814 -4.482 -9.958 1.00 0.00 C ATOM 137 H60 LIG 1 5.032 -3.477 -10.310 1.00 0.00 H ATOM 138 C65 LIG 1 5.335 -5.563 -10.650 1.00 0.00 C ATOM 139 H61 LIG 1 6.268 -5.297 -11.137 1.00 0.00 H ATOM 140 C66 LIG 1 4.932 -6.862 -10.540 1.00 0.00 C ATOM 141 BR1 LIG 1 5.923 -8.262 -11.351 1.00 0.00 BR TER 142 LIG 1 ENDMDL END