REMARK created by molecuilder on Tue Feb 16 16:03:00 2016, time step 0 HETATM 1 C 0non 01 3.589 2.621 4.136 0.00 0.00 C 0 HETATM 2 C 0non 01 2.997 1.877 2.963 0.00 0.00 C 0 HETATM 3 C 0non 01 4.076 1.437 2.001 0.00 0.00 C 0 HETATM 4 C 0non 01 4.864 2.661 1.577 0.00 0.00 C 0 HETATM 5 C 0non 01 5.440 3.347 2.807 0.00 0.00 C 0 HETATM 6 C 0non 01 6.180 4.629 2.464 0.00 0.00 C 0 HETATM 7 O 0non 01 4.409 3.705 3.719 0.00 0.00 O 0 HETATM 8 O 0non 01 2.274 0.735 3.430 0.00 0.00 O 0 HETATM 9 O 0non 01 3.467 0.838 0.859 0.00 0.00 O 0 HETATM 10 O 0non 01 5.904 2.228 0.699 0.00 0.00 O 0 HETATM 11 O 0non 01 6.619 5.228 3.685 0.00 0.00 O 0 HETATM 12 C 0non 01 3.625 3.961 8.419 0.00 0.00 C 0 HETATM 13 C 0non 01 2.465 3.394 7.627 0.00 0.00 C 0 HETATM 14 C 0non 01 2.889 2.263 6.717 0.00 0.00 C 0 HETATM 15 C 0non 01 4.019 2.783 5.844 0.00 0.00 C 0 HETATM 16 C 0non 01 5.167 3.141 6.783 0.00 0.00 C 0 HETATM 17 C 0non 01 6.410 3.610 6.040 0.00 0.00 C 0 HETATM 18 O 0non 01 4.775 4.219 7.624 0.00 0.00 O 0 HETATM 19 O 0non 01 1.449 2.910 8.503 0.00 0.00 O 0 HETATM 20 O 0non 01 1.763 1.855 5.941 0.00 0.00 O 0 HETATM 21 O 0non 01 4.411 1.773 4.931 0.00 0.00 O 0 HETATM 22 O 0non 01 7.364 4.053 7.006 0.00 0.00 O 0 HETATM 23 C 0non 01 3.382 3.876 13.568 0.00 0.00 C 0 HETATM 24 C 0non 01 2.521 2.864 12.843 0.00 0.00 C 0 HETATM 25 C 0non 01 3.151 2.319 11.579 0.00 0.00 C 0 HETATM 26 C 0non 01 3.568 3.525 10.753 0.00 0.00 C 0 HETATM 27 C 0non 01 4.634 4.252 11.564 0.00 0.00 C 0 HETATM 28 C 0non 01 5.305 5.406 10.836 0.00 0.00 C 0 HETATM 29 O 0non 01 4.030 4.812 12.719 0.00 0.00 O 0 HETATM 30 O 0non 01 2.166 1.787 13.711 0.00 0.00 O 0 HETATM 31 O 0non 01 2.166 1.556 10.880 0.00 0.00 O 0 HETATM 32 O 0non 01 4.034 3.099 9.478 0.00 0.00 O 0 HETATM 33 O 0non 01 6.192 6.052 11.751 0.00 0.00 O 0 HETATM 34 C 0non 01 4.978 4.467 18.391 0.00 0.00 C 0 HETATM 35 C 0non 01 3.585 4.316 17.805 0.00 0.00 C 0 HETATM 36 C 0non 01 3.552 3.357 16.640 0.00 0.00 C 0 HETATM 37 C 0non 01 4.525 3.934 15.625 0.00 0.00 C 0 HETATM 38 C 0non 01 5.900 3.759 16.267 0.00 0.00 C 0 HETATM 39 C 0non 01 7.026 4.153 15.323 0.00 0.00 C 0 HETATM 40 O 0non 01 6.009 4.603 17.411 0.00 0.00 O 0 HETATM 41 C 0non 01 1.848 3.619 42.321 0.00 0.00 C 0 HETATM 42 O 0non 01 2.618 3.855 18.747 0.00 0.00 O 0 HETATM 43 O 0non 01 2.207 3.280 16.173 0.00 0.00 O 0 HETATM 44 O 0non 01 4.394 3.273 14.375 0.00 0.00 O 0 HETATM 45 O 0non 01 8.259 4.066 16.040 0.00 0.00 O 0 HETATM 46 C 0non 01 1.245 2.571 41.417 0.00 0.00 C 0 HETATM 47 C 0non 01 2.105 2.264 40.209 0.00 0.00 C 0 HETATM 48 C 0non 01 2.434 3.575 39.511 0.00 0.00 C 0 HETATM 49 C 0non 01 4.108 3.611 23.288 0.00 0.00 C 0 HETATM 50 C 0non 01 3.467 2.628 22.323 0.00 0.00 C 0 HETATM 51 C 0non 01 4.319 2.254 21.128 0.00 0.00 C 0 HETATM 52 C 0non 01 4.825 3.575 20.574 0.00 0.00 C 0 HETATM 53 C 0non 01 5.787 4.105 21.630 0.00 0.00 C 0 HETATM 54 C 0non 01 6.643 5.280 21.188 0.00 0.00 C 0 HETATM 55 O 0non 01 5.006 4.567 22.726 0.00 0.00 O 0 HETATM 56 O 0non 01 3.036 1.441 22.989 0.00 0.00 O 0 HETATM 57 O 0non 01 3.504 1.569 20.174 0.00 0.00 O 0 HETATM 58 O 0non 01 5.360 3.407 19.266 0.00 0.00 O 0 HETATM 59 O 0non 01 7.451 5.681 22.297 0.00 0.00 O 0 HETATM 60 C 0non 01 4.144 3.871 28.415 0.00 0.00 C 0 HETATM 61 C 0non 01 2.973 3.656 27.483 0.00 0.00 C 0 HETATM 62 C 0non 01 3.353 2.854 26.261 0.00 0.00 C 0 HETATM 63 C 0non 01 4.517 3.581 25.606 0.00 0.00 C 0 HETATM 64 C 0non 01 5.673 3.510 26.598 0.00 0.00 C 0 HETATM 65 C 0non 01 6.955 4.105 26.037 0.00 0.00 C 0 HETATM 66 O 0non 01 5.342 4.273 27.753 0.00 0.00 O 0 HETATM 67 O 0non 01 1.909 2.973 28.145 0.00 0.00 O 0 HETATM 68 O 0non 01 2.211 2.771 25.412 0.00 0.00 O 0 HETATM 69 O 0non 01 4.825 2.987 24.352 0.00 0.00 O 0 HETATM 70 O 0non 01 7.936 4.106 27.076 0.00 0.00 O 0 HETATM 71 C 0non 01 3.767 3.316 33.242 0.00 0.00 C 0 HETATM 72 C 0non 01 2.919 2.320 32.493 0.00 0.00 C 0 HETATM 73 C 0non 01 3.552 1.881 31.191 0.00 0.00 C 0 HETATM 74 C 0non 01 3.902 3.125 30.388 0.00 0.00 C 0 HETATM 75 C 0non 01 4.865 3.966 31.220 0.00 0.00 C 0 HETATM 76 C 0non 01 5.345 5.241 30.544 0.00 0.00 C 0 HETATM 77 O 0non 01 4.225 4.381 32.421 0.00 0.00 O 0 HETATM 78 O 0non 01 2.665 1.186 33.325 0.00 0.00 O 0 HETATM 79 O 0non 01 2.600 1.095 30.471 0.00 0.00 O 0 HETATM 80 O 0non 01 4.473 2.702 29.156 0.00 0.00 O 0 HETATM 81 O 0non 01 6.144 5.972 31.477 0.00 0.00 O 0 HETATM 82 C 0non 01 2.997 4.144 37.270 0.00 0.00 C 0 HETATM 83 C 0non 01 2.187 3.482 36.169 0.00 0.00 C 0 HETATM 84 C 0non 01 3.009 2.607 35.248 0.00 0.00 C 0 HETATM 85 C 0non 01 4.198 3.436 34.797 0.00 0.00 C 0 HETATM 86 C 0non 01 5.013 3.709 36.055 0.00 0.00 C 0 HETATM 87 C 0non 01 6.355 4.366 35.776 0.00 0.00 C 0 HETATM 88 O 0non 01 4.278 4.614 36.864 0.00 0.00 O 0 HETATM 89 O 0non 01 1.135 2.692 36.728 0.00 0.00 O 0 HETATM 90 O 0non 01 2.206 2.206 34.138 0.00 0.00 O 0 HETATM 91 O 0non 01 4.928 2.722 33.813 0.00 0.00 O 0 HETATM 92 O 0non 01 6.978 4.652 37.030 0.00 0.00 O 0 HETATM 93 C 0non 01 3.158 4.469 40.515 0.00 0.00 C 0 HETATM 94 C 0non 01 3.611 5.812 39.968 0.00 0.00 C 0 HETATM 95 O 0non 01 2.294 4.762 41.607 0.00 0.00 O 0 HETATM 96 C 0non 01 7.191 2.298 50.799 0.00 0.00 C 0 HETATM 97 O 0non 01 0.997 1.376 42.157 0.00 0.00 O 0 HETATM 98 O 0non 01 1.360 1.431 39.317 0.00 0.00 O 0 HETATM 99 O 0non 01 3.231 3.272 38.372 0.00 0.00 O 0 HETATM 100 O 0non 01 4.172 6.571 41.042 0.00 0.00 O 0 HETATM 101 C 0non 01 5.743 2.664 50.999 0.00 0.00 C 0 HETATM 102 C 0non 01 4.912 2.314 49.784 0.00 0.00 C 0 HETATM 103 C 0non 01 5.531 3.015 48.585 0.00 0.00 C 0 HETATM 104 C 0non 01 3.807 3.744 47.121 0.00 0.00 C 0 HETATM 105 C 0non 01 2.466 3.184 46.704 0.00 0.00 C 0 HETATM 106 C 0non 01 2.488 2.576 45.320 0.00 0.00 C 0 HETATM 107 C 0non 01 3.034 3.636 44.373 0.00 0.00 C 0 HETATM 108 C 0non 01 4.460 3.931 44.827 0.00 0.00 C 0 HETATM 109 C 0non 01 5.192 4.900 43.912 0.00 0.00 C 0 HETATM 110 O 0non 01 4.422 4.540 46.115 0.00 0.00 O 0 HETATM 111 O 0non 01 2.023 2.208 47.649 0.00 0.00 O 0 HETATM 112 O 0non 01 1.163 2.198 44.949 0.00 0.00 O 0 HETATM 113 O 0non 01 2.980 3.140 43.044 0.00 0.00 O 0 HETATM 114 O 0non 01 6.462 5.187 44.500 0.00 0.00 O 0 HETATM 115 C 0non 01 6.957 2.500 48.424 0.00 0.00 C 0 HETATM 116 C 0non 01 7.672 3.157 47.250 0.00 0.00 C 0 HETATM 117 O 0non 01 7.733 2.793 49.584 0.00 0.00 O 0 HETATM 118 O 0non 01 7.408 0.891 50.691 0.00 0.00 O 0 HETATM 119 O 0non 01 5.203 1.997 52.140 0.00 0.00 O 0 HETATM 120 O 0non 01 3.570 2.750 50.000 0.00 0.00 O 0 HETATM 121 O 0non 01 4.755 2.727 47.431 0.00 0.00 O 0 HETATM 122 O 0non 01 9.043 2.758 47.281 0.00 0.00 O 0 HETATM 123 H 0non 01 2.754 3.053 4.730 0.00 0.00 H 0 HETATM 124 H 0non 01 2.266 2.532 2.432 0.00 0.00 H 0 HETATM 125 H 0non 01 4.746 0.677 2.465 0.00 0.00 H 0 HETATM 126 H 0non 01 4.219 3.367 1.005 0.00 0.00 H 0 HETATM 127 H 0non 01 6.154 2.659 3.317 0.00 0.00 H 0 HETATM 128 H 0non 01 7.076 4.440 1.833 0.00 0.00 H 0 HETATM 129 H 0non 01 5.512 5.354 1.949 0.00 0.00 H 0 HETATM 130 H 0non 01 2.024 0.250 2.661 0.00 0.00 H 0 HETATM 131 H 0non 01 4.169 0.620 0.270 0.00 0.00 H 0 HETATM 132 H 0non 01 6.245 2.981 0.250 0.00 0.00 H 0 HETATM 133 H 0non 01 5.866 5.246 4.255 0.00 0.00 H 0 HETATM 134 H 0non 01 3.335 4.961 8.816 0.00 0.00 H 0 HETATM 135 H 0non 01 2.003 4.204 7.013 0.00 0.00 H 0 HETATM 136 H 0non 01 3.213 1.374 7.306 0.00 0.00 H 0 HETATM 137 H 0non 01 3.735 3.707 5.289 0.00 0.00 H 0 HETATM 138 H 0non 01 5.445 2.271 7.423 0.00 0.00 H 0 HETATM 139 H 0non 01 6.881 2.795 5.450 0.00 0.00 H 0 HETATM 140 H 0non 01 6.178 4.466 5.367 0.00 0.00 H 0 HETATM 141 H 0non 01 0.756 2.585 7.953 0.00 0.00 H 0 HETATM 142 H 0non 01 1.992 1.058 5.492 0.00 0.00 H 0 HETATM 143 H 0non 01 6.902 4.633 7.590 0.00 0.00 H 0 HETATM 144 H 0non 01 2.692 4.488 14.192 0.00 0.00 H 0 HETATM 145 H 0non 01 1.557 3.360 12.566 0.00 0.00 H 0 HETATM 146 H 0non 01 4.014 1.651 11.797 0.00 0.00 H 0 HETATM 147 H 0non 01 2.666 4.167 10.629 0.00 0.00 H 0 HETATM 148 H 0non 01 5.435 3.543 11.886 0.00 0.00 H 0 HETATM 149 H 0non 01 5.912 5.063 9.970 0.00 0.00 H 0 HETATM 150 H 0non 01 4.558 6.159 10.500 0.00 0.00 H 0 HETATM 151 H 0non 01 1.695 1.166 13.179 0.00 0.00 H 0 HETATM 152 H 0non 01 2.338 1.644 9.958 0.00 0.00 H 0 HETATM 153 H 0non 01 5.694 6.201 12.540 0.00 0.00 H 0 HETATM 154 H 0non 01 5.024 5.426 18.959 0.00 0.00 H 0 HETATM 155 H 0non 01 3.224 5.317 17.464 0.00 0.00 H 0 HETATM 156 H 0non 01 3.833 2.324 16.948 0.00 0.00 H 0 HETATM 157 H 0non 01 4.389 5.029 15.463 0.00 0.00 H 0 HETATM 158 H 0non 01 6.066 2.703 16.590 0.00 0.00 H 0 HETATM 159 H 0non 01 7.096 3.474 14.444 0.00 0.00 H 0 HETATM 160 H 0non 01 6.907 5.201 14.967 0.00 0.00 H 0 HETATM 161 H 0non 01 1.042 3.952 43.014 0.00 0.00 H 0 HETATM 162 H 0non 01 1.823 3.711 18.260 0.00 0.00 H 0 HETATM 163 H 0non 01 2.176 2.622 15.498 0.00 0.00 H 0 HETATM 164 H 0non 01 8.125 4.534 16.849 0.00 0.00 H 0 HETATM 165 H 0non 01 0.250 2.938 41.064 0.00 0.00 H 0 HETATM 166 H 0non 01 3.033 1.720 40.496 0.00 0.00 H 0 HETATM 167 H 0non 01 1.467 4.034 39.200 0.00 0.00 H 0 HETATM 168 H 0non 01 3.263 4.214 23.696 0.00 0.00 H 0 HETATM 169 H 0non 01 2.531 3.098 21.926 0.00 0.00 H 0 HETATM 170 H 0non 01 5.150 1.570 21.408 0.00 0.00 H 0 HETATM 171 H 0non 01 3.977 4.295 20.529 0.00 0.00 H 0 HETATM 172 H 0non 01 6.474 3.305 21.995 0.00 0.00 H 0 HETATM 173 H 0non 01 7.324 5.010 20.351 0.00 0.00 H 0 HETATM 174 H 0non 01 6.016 6.152 20.899 0.00 0.00 H 0 HETATM 175 H 0non 01 2.714 0.867 22.315 0.00 0.00 H 0 HETATM 176 H 0non 01 3.564 2.044 19.363 0.00 0.00 H 0 HETATM 177 H 0non 01 6.869 5.757 23.036 0.00 0.00 H 0 HETATM 178 H 0non 01 3.900 4.708 29.107 0.00 0.00 H 0 HETATM 179 H 0non 01 2.568 4.645 27.162 0.00 0.00 H 0 HETATM 180 H 0non 01 3.630 1.807 26.527 0.00 0.00 H 0 HETATM 181 H 0non 01 4.309 4.669 25.463 0.00 0.00 H 0 HETATM 182 H 0non 01 5.875 2.456 26.907 0.00 0.00 H 0 HETATM 183 H 0non 01 7.360 3.510 25.188 0.00 0.00 H 0 HETATM 184 H 0non 01 6.804 5.158 25.708 0.00 0.00 H 0 HETATM 185 H 0non 01 1.233 2.852 27.501 0.00 0.00 H 0 HETATM 186 H 0non 01 2.411 2.148 24.735 0.00 0.00 H 0 HETATM 187 H 0non 01 7.519 4.483 27.834 0.00 0.00 H 0 HETATM 188 H 0non 01 3.121 3.766 34.030 0.00 0.00 H 0 HETATM 189 H 0non 01 1.926 2.784 32.276 0.00 0.00 H 0 HETATM 190 H 0non 01 4.456 1.255 31.368 0.00 0.00 H 0 HETATM 191 H 0non 01 2.959 3.690 30.206 0.00 0.00 H 0 HETATM 192 H 0non 01 5.766 3.361 31.471 0.00 0.00 H 0 HETATM 193 H 0non 01 5.981 5.035 29.655 0.00 0.00 H 0 HETATM 194 H 0non 01 4.487 5.892 30.259 0.00 0.00 H 0 HETATM 195 H 0non 01 2.145 0.593 32.811 0.00 0.00 H 0 HETATM 196 H 0non 01 2.776 1.216 29.552 0.00 0.00 H 0 HETATM 197 H 0non 01 5.641 6.015 32.274 0.00 0.00 H 0 HETATM 198 H 0non 01 2.453 5.055 37.607 0.00 0.00 H 0 HETATM 199 H 0non 01 1.697 4.277 35.557 0.00 0.00 H 0 HETATM 200 H 0non 01 3.337 1.674 35.759 0.00 0.00 H 0 HETATM 201 H 0non 01 3.889 4.428 34.390 0.00 0.00 H 0 HETATM 202 H 0non 01 5.199 2.773 36.630 0.00 0.00 H 0 HETATM 203 H 0non 01 7.041 3.700 35.208 0.00 0.00 H 0 HETATM 204 H 0non 01 6.226 5.326 35.228 0.00 0.00 H 0 HETATM 205 H 0non 01 0.648 2.341 36.001 0.00 0.00 H 0 HETATM 206 H 0non 01 2.718 1.610 33.612 0.00 0.00 H 0 HETATM 207 H 0non 01 6.338 5.116 37.544 0.00 0.00 H 0 HETATM 208 H 0non 01 4.066 3.943 40.892 0.00 0.00 H 0 HETATM 209 H 0non 01 4.404 5.709 39.196 0.00 0.00 H 0 HETATM 210 H 0non 01 2.754 6.394 39.557 0.00 0.00 H 0 HETATM 211 H 0non 01 7.827 2.674 51.635 0.00 0.00 H 0 HETATM 212 H 0non 01 0.652 0.749 41.542 0.00 0.00 H 0 HETATM 213 H 0non 01 1.714 1.556 38.452 0.00 0.00 H 0 HETATM 214 H 0non 01 3.552 6.517 41.751 0.00 0.00 H 0 HETATM 215 H 0non 01 5.665 3.759 51.199 0.00 0.00 H 0 HETATM 216 H 0non 01 4.871 1.211 49.628 0.00 0.00 H 0 HETATM 217 H 0non 01 5.603 4.116 48.745 0.00 0.00 H 0 HETATM 218 H 0non 01 3.631 4.406 48.000 0.00 0.00 H 0 HETATM 219 H 0non 01 1.707 4.004 46.719 0.00 0.00 H 0 HETATM 220 H 0non 01 3.110 1.654 45.294 0.00 0.00 H 0 HETATM 221 H 0non 01 2.471 4.595 44.449 0.00 0.00 H 0 HETATM 222 H 0non 01 5.057 2.992 44.878 0.00 0.00 H 0 HETATM 223 H 0non 01 5.378 4.468 42.904 0.00 0.00 H 0 HETATM 224 H 0non 01 4.634 5.857 43.808 0.00 0.00 H 0 HETATM 225 H 0non 01 1.240 1.828 47.288 0.00 0.00 H 0 HETATM 226 H 0non 01 1.212 1.753 44.117 0.00 0.00 H 0 HETATM 227 H 0non 01 6.287 5.417 45.400 0.00 0.00 H 0 HETATM 228 H 0non 01 6.955 1.398 48.257 0.00 0.00 H 0 HETATM 229 H 0non 01 7.248 2.842 46.270 0.00 0.00 H 0 HETATM 230 H 0non 01 7.641 4.267 47.323 0.00 0.00 H 0 HETATM 231 H 0non 01 8.250 0.796 50.278 0.00 0.00 H 0 HETATM 232 H 0non 01 4.277 2.176 52.127 0.00 0.00 H 0 HETATM 233 H 0non 01 3.036 2.365 49.325 0.00 0.00 H 0 HETATM 234 H 0non 01 9.354 2.983 48.142 0.00 0.00 H 0 ATOM 235 O01 0wat 02 2.095 0.855 15.382 0.00 0.00 O 0 ATOM 236 H01 0wat 02 1.794 1.663 15.676 0.00 0.00 H 0 ATOM 237 H02 0wat 02 2.598 1.192 16.063 0.00 0.00 H 0 ATOM 238 O01 0wat 03 2.401 0.897 19.657 0.00 0.00 O 0 ATOM 239 H01 0wat 03 1.732 0.808 20.270 0.00 0.00 H 0 ATOM 240 H02 0wat 03 2.487 1.472 20.358 0.00 0.00 H 0 ATOM 241 O01 0wat 04 2.504 1.542 24.288 0.00 0.00 O 0 ATOM 242 H01 0wat 04 1.743 1.474 24.785 0.00 0.00 H 0 ATOM 243 H02 0wat 04 2.173 0.694 24.310 0.00 0.00 H 0 ATOM 244 O01 0wat 05 1.985 1.170 50.113 0.00 0.00 O 0 ATOM 245 H01 0wat 05 2.584 0.998 50.778 0.00 0.00 H 0 ATOM 246 H02 0wat 05 1.651 1.343 50.943 0.00 0.00 H 0 ATOM 247 O01 0wat 06 2.438 3.005 2.459 0.00 0.00 O 0 ATOM 248 H01 0wat 06 1.581 3.300 2.355 0.00 0.00 H 0 ATOM 249 H02 0wat 06 2.201 3.627 3.081 0.00 0.00 H 0 ATOM 250 O01 0wat 07 2.178 3.518 51.199 0.00 0.00 O 0 ATOM 251 H01 0wat 07 2.138 3.969 50.407 0.00 0.00 H 0 ATOM 252 H02 0wat 07 1.970 2.978 50.495 0.00 0.00 H 0 ATOM 253 O01 0wat 08 2.112 5.577 3.197 0.00 0.00 O 0 ATOM 254 H01 0wat 08 1.737 5.184 2.464 0.00 0.00 H 0 ATOM 255 H02 0wat 08 2.239 6.059 2.434 0.00 0.00 H 0 ATOM 256 O01 0wat 09 1.947 5.432 6.693 0.00 0.00 O 0 ATOM 257 H01 0wat 09 2.605 5.578 7.306 0.00 0.00 H 0 ATOM 258 H02 0wat 09 1.669 5.943 7.394 0.00 0.00 H 0 ATOM 259 O01 0wat 010 2.036 5.892 11.036 0.00 0.00 O 0 ATOM 260 H01 0wat 010 2.444 5.185 11.441 0.00 0.00 H 0 ATOM 261 H02 0wat 010 2.007 5.942 11.946 0.00 0.00 H 0 ATOM 262 O01 0wat 011 2.371 5.890 16.058 0.00 0.00 O 0 ATOM 263 H01 0wat 011 1.957 5.542 15.324 0.00 0.00 H 0 ATOM 264 H02 0wat 011 1.692 5.320 16.272 0.00 0.00 H 0 ATOM 265 O01 0wat 012 2.267 5.621 19.597 0.00 0.00 O 0 ATOM 266 H01 0wat 012 2.612 5.840 20.411 0.00 0.00 H 0 ATOM 267 H02 0wat 012 1.675 5.491 20.277 0.00 0.00 H 0 ATOM 268 O01 0wat 013 2.371 5.212 24.528 0.00 0.00 O 0 ATOM 269 H01 0wat 013 2.370 6.088 24.275 0.00 0.00 H 0 ATOM 270 H02 0wat 013 1.613 5.652 24.780 0.00 0.00 H 0 ATOM 271 O01 0wat 014 2.378 5.880 28.433 0.00 0.00 O 0 ATOM 272 H01 0wat 014 2.513 5.768 29.327 0.00 0.00 H 0 ATOM 273 H02 0wat 014 1.662 5.505 28.853 0.00 0.00 H 0 ATOM 274 O01 0wat 015 1.797 5.607 33.540 0.00 0.00 O 0 ATOM 275 H01 0wat 015 2.216 5.169 32.859 0.00 0.00 H 0 ATOM 276 H02 0wat 015 2.540 6.043 33.245 0.00 0.00 H 0 ATOM 277 O01 0wat 016 1.969 5.693 37.076 0.00 0.00 O 0 ATOM 278 H01 0wat 016 2.567 6.004 37.689 0.00 0.00 H 0 ATOM 279 H02 0wat 016 2.084 5.122 37.777 0.00 0.00 H 0 ATOM 280 O01 0wat 017 2.371 5.584 42.340 0.00 0.00 O 0 ATOM 281 H01 0wat 017 2.326 5.909 41.490 0.00 0.00 H 0 ATOM 282 H02 0wat 017 1.657 5.260 41.876 0.00 0.00 H 0 ATOM 283 O01 0wat 018 1.671 5.791 46.441 0.00 0.00 O 0 ATOM 284 H01 0wat 018 2.179 5.606 45.707 0.00 0.00 H 0 ATOM 285 H02 0wat 018 2.503 5.488 46.655 0.00 0.00 H 0 ATOM 286 O01 0wat 019 1.919 5.651 51.287 0.00 0.00 O 0 ATOM 287 H01 0wat 019 2.431 5.975 50.607 0.00 0.00 H 0 ATOM 288 H02 0wat 019 1.670 5.327 50.473 0.00 0.00 H 0 ATOM 289 O01 0wat 020 5.795 1.103 11.625 0.00 0.00 O 0 ATOM 290 H01 0wat 020 4.995 1.541 11.603 0.00 0.00 H 0 ATOM 291 H02 0wat 020 5.168 0.667 11.129 0.00 0.00 H 0 ATOM 292 O01 0wat 021 5.446 1.185 15.364 0.00 0.00 O 0 ATOM 293 H01 0wat 021 5.789 1.060 16.199 0.00 0.00 H 0 ATOM 294 H02 0wat 021 4.856 1.400 16.024 0.00 0.00 H 0 ATOM 295 O01 0wat 022 5.572 1.237 20.555 0.00 0.00 O 0 ATOM 296 H01 0wat 022 5.269 0.740 19.854 0.00 0.00 H 0 ATOM 297 H02 0wat 022 5.117 1.734 19.942 0.00 0.00 H 0 ATOM 298 O01 0wat 023 5.616 1.103 24.156 0.00 0.00 O 0 ATOM 299 H01 0wat 023 5.648 1.276 25.050 0.00 0.00 H 0 ATOM 300 H02 0wat 023 4.827 0.931 24.576 0.00 0.00 H 0 ATOM 301 O01 0wat 024 5.319 1.269 29.481 0.00 0.00 O 0 ATOM 302 H01 0wat 024 5.343 0.662 28.800 0.00 0.00 H 0 ATOM 303 H02 0wat 024 5.162 1.646 28.666 0.00 0.00 H 0 ATOM 304 O01 0wat 025 5.772 1.344 37.558 0.00 0.00 O 0 ATOM 305 H01 0wat 025 5.229 0.617 37.646 0.00 0.00 H 0 ATOM 306 H02 0wat 025 4.889 1.550 37.471 0.00 0.00 H 0 ATOM 307 O01 0wat 026 5.447 1.550 42.338 0.00 0.00 O 0 ATOM 308 H01 0wat 026 4.697 1.246 41.918 0.00 0.00 H 0 ATOM 309 H02 0wat 026 5.614 0.847 41.783 0.00 0.00 H 0 ATOM 310 O01 0wat 027 5.750 1.059 46.117 0.00 0.00 O 0 ATOM 311 H01 0wat 027 4.905 1.383 46.013 0.00 0.00 H 0 ATOM 312 H02 0wat 027 5.169 0.735 46.740 0.00 0.00 H 0 ATOM 313 O01 0wat 028 5.304 5.698 6.521 0.00 0.00 O 0 ATOM 314 H01 0wat 028 5.801 5.656 7.284 0.00 0.00 H 0 ATOM 315 H02 0wat 028 4.853 5.999 7.254 0.00 0.00 H 0 ATOM 316 O01 0wat 029 5.320 5.628 51.310 0.00 0.00 O 0 ATOM 317 H01 0wat 029 5.833 5.953 50.629 0.00 0.00 H 0 ATOM 318 H02 0wat 029 5.071 5.304 50.495 0.00 0.00 H 0 ATOM 319 O01 0wat 030 8.492 1.133 2.289 0.00 0.00 O 0 ATOM 320 H01 0wat 030 7.985 1.414 2.993 0.00 0.00 H 0 ATOM 321 H02 0wat 030 8.751 0.763 3.080 0.00 0.00 H 0 ATOM 322 O01 0wat 031 8.542 0.744 6.650 0.00 0.00 O 0 ATOM 323 H01 0wat 031 9.102 1.400 6.945 0.00 0.00 H 0 ATOM 324 H02 0wat 031 8.185 1.233 7.331 0.00 0.00 H 0 ATOM 325 O01 0wat 032 8.929 1.081 11.235 0.00 0.00 O 0 ATOM 326 H01 0wat 032 8.043 1.081 11.020 0.00 0.00 H 0 ATOM 327 H02 0wat 032 8.389 1.081 11.968 0.00 0.00 H 0 ATOM 328 O01 0wat 033 8.729 1.564 15.685 0.00 0.00 O 0 ATOM 329 H01 0wat 033 8.728 0.688 15.432 0.00 0.00 H 0 ATOM 330 H02 0wat 033 7.971 1.125 15.937 0.00 0.00 H 0 ATOM 331 O01 0wat 034 8.350 1.168 20.667 0.00 0.00 O 0 ATOM 332 H01 0wat 034 8.280 0.848 19.816 0.00 0.00 H 0 ATOM 333 H02 0wat 034 9.131 1.228 20.202 0.00 0.00 H 0 ATOM 334 O01 0wat 035 8.268 1.286 24.742 0.00 0.00 O 0 ATOM 335 H01 0wat 035 8.870 1.351 24.060 0.00 0.00 H 0 ATOM 336 H02 0wat 035 8.557 0.473 24.447 0.00 0.00 H 0 ATOM 337 O01 0wat 036 8.653 1.113 29.325 0.00 0.00 O 0 ATOM 338 H01 0wat 036 8.975 0.676 28.593 0.00 0.00 H 0 ATOM 339 H02 0wat 036 8.200 1.322 28.562 0.00 0.00 H 0 ATOM 340 O01 0wat 037 8.796 1.037 33.631 0.00 0.00 O 0 ATOM 341 H01 0wat 037 8.005 0.864 33.211 0.00 0.00 H 0 ATOM 342 H02 0wat 037 8.827 1.209 32.736 0.00 0.00 H 0 ATOM 343 O01 0wat 038 8.081 1.126 37.647 0.00 0.00 O 0 ATOM 344 H01 0wat 038 8.840 1.126 38.152 0.00 0.00 H 0 ATOM 345 H02 0wat 038 8.840 1.126 37.143 0.00 0.00 H 0 ATOM 346 O01 0wat 039 8.729 1.037 41.641 0.00 0.00 O 0 ATOM 347 H01 0wat 039 8.760 1.209 42.536 0.00 0.00 H 0 ATOM 348 H02 0wat 039 7.939 0.864 42.062 0.00 0.00 H 0 ATOM 349 O01 0wat 040 8.327 1.279 46.862 0.00 0.00 O 0 ATOM 350 H01 0wat 040 8.442 0.708 46.160 0.00 0.00 H 0 ATOM 351 H02 0wat 040 8.925 1.590 46.248 0.00 0.00 H 0 ATOM 352 O01 0wat 041 8.088 3.096 2.721 0.00 0.00 O 0 ATOM 353 H01 0wat 041 8.781 3.452 2.246 0.00 0.00 H 0 ATOM 354 H02 0wat 041 8.559 3.716 3.195 0.00 0.00 H 0 ATOM 355 O01 0wat 042 8.670 3.957 11.558 0.00 0.00 O 0 ATOM 356 H01 0wat 042 8.100 3.245 11.536 0.00 0.00 H 0 ATOM 357 H02 0wat 042 8.991 3.263 11.062 0.00 0.00 H 0 ATOM 358 O01 0wat 043 8.536 2.998 19.988 0.00 0.00 O 0 ATOM 359 H01 0wat 043 8.858 3.691 20.485 0.00 0.00 H 0 ATOM 360 H02 0wat 043 7.967 3.709 20.011 0.00 0.00 H 0 ATOM 361 O01 0wat 044 8.670 3.215 29.354 0.00 0.00 O 0 ATOM 362 H01 0wat 044 8.427 2.995 28.503 0.00 0.00 H 0 ATOM 363 H02 0wat 044 8.331 3.922 28.890 0.00 0.00 H 0 ATOM 364 O01 0wat 045 8.409 3.411 32.828 0.00 0.00 O 0 ATOM 365 H01 0wat 045 8.763 3.763 33.590 0.00 0.00 H 0 ATOM 366 H02 0wat 045 8.256 2.891 33.560 0.00 0.00 H 0 ATOM 367 O01 0wat 046 8.112 3.128 37.972 0.00 0.00 O 0 ATOM 368 H01 0wat 046 8.920 3.157 37.552 0.00 0.00 H 0 ATOM 369 H02 0wat 046 8.195 3.846 37.418 0.00 0.00 H 0 ATOM 370 O01 0wat 047 8.290 3.715 42.249 0.00 0.00 O 0 ATOM 371 H01 0wat 047 9.098 3.686 41.829 0.00 0.00 H 0 ATOM 372 H02 0wat 047 8.373 2.997 41.694 0.00 0.00 H 0 ATOM 373 O01 0wat 048 8.907 5.629 2.893 0.00 0.00 O 0 ATOM 374 H01 0wat 048 8.108 5.192 2.871 0.00 0.00 H 0 ATOM 375 H02 0wat 048 8.280 6.065 2.397 0.00 0.00 H 0 ATOM 376 O01 0wat 049 8.863 5.717 6.672 0.00 0.00 O 0 ATOM 377 H01 0wat 049 8.014 5.873 6.967 0.00 0.00 H 0 ATOM 378 H02 0wat 049 8.618 5.163 7.353 0.00 0.00 H 0 ATOM 379 O01 0wat 050 8.133 5.437 11.319 0.00 0.00 O 0 ATOM 380 H01 0wat 050 8.714 5.925 11.824 0.00 0.00 H 0 ATOM 381 H02 0wat 050 8.714 5.925 10.815 0.00 0.00 H 0 ATOM 382 O01 0wat 051 8.774 5.345 15.512 0.00 0.00 O 0 ATOM 383 H01 0wat 051 7.885 5.442 15.689 0.00 0.00 H 0 ATOM 384 H02 0wat 051 8.569 6.165 15.854 0.00 0.00 H 0 ATOM 385 O01 0wat 052 8.670 5.555 24.178 0.00 0.00 O 0 ATOM 386 H01 0wat 052 8.044 6.080 24.583 0.00 0.00 H 0 ATOM 387 H02 0wat 052 8.714 5.518 25.088 0.00 0.00 H 0 ATOM 388 O01 0wat 053 8.200 5.784 29.241 0.00 0.00 O 0 ATOM 389 H01 0wat 053 8.619 6.221 28.560 0.00 0.00 H 0 ATOM 390 H02 0wat 053 8.943 5.347 28.946 0.00 0.00 H 0 ATOM 391 O01 0wat 054 8.439 6.003 33.586 0.00 0.00 O 0 ATOM 392 H01 0wat 054 8.160 5.492 32.885 0.00 0.00 H 0 ATOM 393 H02 0wat 054 9.096 5.857 32.973 0.00 0.00 H 0 ATOM 394 O01 0wat 055 8.631 5.771 38.057 0.00 0.00 O 0 ATOM 395 H01 0wat 055 8.649 6.148 37.227 0.00 0.00 H 0 ATOM 396 H02 0wat 055 8.481 5.167 37.392 0.00 0.00 H 0 ATOM 397 O01 0wat 056 8.974 5.478 41.946 0.00 0.00 O 0 ATOM 398 H01 0wat 056 8.150 5.433 42.333 0.00 0.00 H 0 ATOM 399 H02 0wat 056 8.371 6.042 41.560 0.00 0.00 H 0 ATOM 400 O01 0wat 057 8.773 6.156 46.246 0.00 0.00 O 0 ATOM 401 H01 0wat 057 8.824 5.250 46.333 0.00 0.00 H 0 ATOM 402 H02 0wat 057 7.964 5.747 46.158 0.00 0.00 H 0 ATOM 403 O01 0wat 058 7.970 5.762 50.811 0.00 0.00 O 0 ATOM 404 H01 0wat 058 8.729 6.086 51.198 0.00 0.00 H 0 ATOM 405 H02 0wat 058 8.729 5.438 50.425 0.00 0.00 H 0 CONECT 1 7 21 123 2 CONECT 2 1 8 3 124 CONECT 3 2 4 9 125 CONECT 4 3 5 10 126 CONECT 5 4 6 127 7 CONECT 6 5 11 128 129 CONECT 7 1 5 CONECT 8 2 130 CONECT 9 3 131 CONECT 10 4 132 CONECT 11 6 133 CONECT 12 32 18 134 13 CONECT 13 12 14 19 135 CONECT 14 13 15 20 136 CONECT 15 14 16 21 137 CONECT 16 15 17 18 138 CONECT 17 16 22 139 140 CONECT 18 12 16 CONECT 19 13 141 CONECT 20 14 142 CONECT 21 1 15 CONECT 22 17 143 CONECT 23 24 44 144 29 CONECT 24 23 25 145 30 CONECT 25 24 146 26 31 CONECT 26 25 27 32 147 CONECT 27 26 28 29 148 CONECT 28 27 33 149 150 CONECT 29 23 27 CONECT 30 24 151 CONECT 31 25 152 CONECT 32 12 26 CONECT 33 28 153 CONECT 34 58 35 40 154 CONECT 35 34 36 42 155 CONECT 36 35 37 43 156 CONECT 37 36 38 44 157 CONECT 38 37 39 40 158 CONECT 39 38 45 159 160 CONECT 40 34 38 CONECT 41 46 113 95 161 CONECT 42 35 162 CONECT 43 36 163 CONECT 44 23 37 CONECT 45 39 164 CONECT 46 41 47 97 165 CONECT 47 46 48 98 166 CONECT 48 47 93 99 167 CONECT 49 50 69 168 55 CONECT 50 49 169 51 56 CONECT 51 50 52 57 170 CONECT 52 51 53 58 171 CONECT 53 52 54 55 172 CONECT 54 53 59 173 174 CONECT 55 49 53 CONECT 56 50 175 CONECT 57 51 176 CONECT 58 34 52 CONECT 59 54 177 CONECT 60 61 66 80 178 CONECT 61 60 62 67 179 CONECT 62 61 63 68 180 CONECT 63 62 64 69 181 CONECT 64 63 65 66 182 CONECT 65 64 70 183 184 CONECT 66 60 64 CONECT 67 61 185 CONECT 68 62 186 CONECT 69 49 63 CONECT 70 65 187 CONECT 71 72 77 91 188 CONECT 72 71 73 78 189 CONECT 73 72 74 79 190 CONECT 74 73 75 80 191 CONECT 75 74 76 77 192 CONECT 76 75 81 193 194 CONECT 77 71 75 CONECT 78 72 195 CONECT 79 73 196 CONECT 80 60 74 CONECT 81 76 197 CONECT 82 83 88 99 198 CONECT 83 82 84 89 199 CONECT 84 83 85 90 200 CONECT 85 84 86 91 201 CONECT 86 85 87 88 202 CONECT 87 86 92 203 204 CONECT 88 82 86 CONECT 89 83 205 CONECT 90 84 206 CONECT 91 71 85 CONECT 92 87 207 CONECT 93 48 94 95 208 CONECT 94 93 209 210 100 CONECT 95 41 93 CONECT 96 211 101 117 118 CONECT 97 46 212 CONECT 98 47 213 CONECT 99 48 82 CONECT 100 94 214 CONECT 101 96 102 119 215 CONECT 102 101 103 120 216 CONECT 103 102 115 121 217 CONECT 104 105 110 121 218 CONECT 105 104 106 111 219 CONECT 106 105 107 112 220 CONECT 107 106 108 113 221 CONECT 108 107 109 110 222 CONECT 109 108 114 223 224 CONECT 110 104 108 CONECT 111 105 225 CONECT 112 106 226 CONECT 113 41 107 CONECT 114 109 227 CONECT 115 103 116 117 228 CONECT 116 115 122 229 230 CONECT 117 96 115 CONECT 118 96 231 CONECT 119 101 232 CONECT 120 102 233 CONECT 121 103 104 CONECT 122 116 234 CONECT 123 1 CONECT 124 2 CONECT 125 3 CONECT 126 4 CONECT 127 5 CONECT 128 6 CONECT 129 6 CONECT 130 8 CONECT 131 9 CONECT 132 10 CONECT 133 11 CONECT 134 12 CONECT 135 13 CONECT 136 14 CONECT 137 15 CONECT 138 16 CONECT 139 17 CONECT 140 17 CONECT 141 19 CONECT 142 20 CONECT 143 22 CONECT 144 23 CONECT 145 24 CONECT 146 25 CONECT 147 26 CONECT 148 27 CONECT 149 28 CONECT 150 28 CONECT 151 30 CONECT 152 31 CONECT 153 33 CONECT 154 34 CONECT 155 35 CONECT 156 36 CONECT 157 37 CONECT 158 38 CONECT 159 39 CONECT 160 39 CONECT 161 41 CONECT 162 42 CONECT 163 43 CONECT 164 45 CONECT 165 46 CONECT 166 47 CONECT 167 48 CONECT 168 49 CONECT 169 50 CONECT 170 51 CONECT 171 52 CONECT 172 53 CONECT 173 54 CONECT 174 54 CONECT 175 56 CONECT 176 57 CONECT 177 59 CONECT 178 60 CONECT 179 61 CONECT 180 62 CONECT 181 63 CONECT 182 64 CONECT 183 65 CONECT 184 65 CONECT 185 67 CONECT 186 68 CONECT 187 70 CONECT 188 71 CONECT 189 72 CONECT 190 73 CONECT 191 74 CONECT 192 75 CONECT 193 76 CONECT 194 76 CONECT 195 78 CONECT 196 79 CONECT 197 81 CONECT 198 82 CONECT 199 83 CONECT 200 84 CONECT 201 85 CONECT 202 86 CONECT 203 87 CONECT 204 87 CONECT 205 89 CONECT 206 90 CONECT 207 92 CONECT 208 93 CONECT 209 94 CONECT 210 94 CONECT 211 96 CONECT 212 97 CONECT 213 98 CONECT 214 100 CONECT 215 101 CONECT 216 102 CONECT 217 103 CONECT 218 104 CONECT 219 105 CONECT 220 106 CONECT 221 107 CONECT 222 108 CONECT 223 109 CONECT 224 109 CONECT 225 111 CONECT 226 112 CONECT 227 114 CONECT 228 115 CONECT 229 116 CONECT 230 116 CONECT 231 118 CONECT 232 119 CONECT 233 120 CONECT 234 122 CONECT 235 236 237 CONECT 236 235 CONECT 237 235 CONECT 238 239 240 CONECT 239 238 CONECT 240 238 CONECT 241 242 243 CONECT 242 241 CONECT 243 241 CONECT 244 245 246 CONECT 245 244 CONECT 246 244 CONECT 247 248 249 CONECT 248 247 CONECT 249 247 CONECT 250 251 252 CONECT 251 250 CONECT 252 250 CONECT 253 254 255 CONECT 254 253 CONECT 255 253 CONECT 256 257 258 CONECT 257 256 CONECT 258 256 CONECT 259 260 261 CONECT 260 259 CONECT 261 259 CONECT 262 263 264 CONECT 263 262 CONECT 264 262 CONECT 265 266 267 CONECT 266 265 CONECT 267 265 CONECT 268 269 270 CONECT 269 268 CONECT 270 268 CONECT 271 272 273 CONECT 272 271 CONECT 273 271 CONECT 274 275 276 CONECT 275 274 CONECT 276 274 CONECT 277 278 279 CONECT 278 277 CONECT 279 277 CONECT 280 281 282 CONECT 281 280 CONECT 282 280 CONECT 283 284 285 CONECT 284 283 CONECT 285 283 CONECT 286 287 288 CONECT 287 286 CONECT 288 286 CONECT 289 290 291 CONECT 290 289 CONECT 291 289 CONECT 292 293 294 CONECT 293 292 CONECT 294 292 CONECT 295 296 297 CONECT 296 295 CONECT 297 295 CONECT 298 299 300 CONECT 299 298 CONECT 300 298 CONECT 301 302 303 CONECT 302 301 CONECT 303 301 CONECT 304 305 306 CONECT 305 304 CONECT 306 304 CONECT 307 308 309 CONECT 308 307 CONECT 309 307 CONECT 310 311 312 CONECT 311 310 CONECT 312 310 CONECT 313 314 315 CONECT 314 313 CONECT 315 313 CONECT 316 317 318 CONECT 317 316 CONECT 318 316 CONECT 319 320 321 CONECT 320 319 CONECT 321 319 CONECT 322 323 324 CONECT 323 322 CONECT 324 322 CONECT 325 326 327 CONECT 326 325 CONECT 327 325 CONECT 328 329 330 CONECT 329 328 CONECT 330 328 CONECT 331 332 333 CONECT 332 331 CONECT 333 331 CONECT 334 335 336 CONECT 335 334 CONECT 336 334 CONECT 337 338 339 CONECT 338 337 CONECT 339 337 CONECT 340 341 342 CONECT 341 340 CONECT 342 340 CONECT 343 344 345 CONECT 344 343 CONECT 345 343 CONECT 346 347 348 CONECT 347 346 CONECT 348 346 CONECT 349 350 351 CONECT 350 349 CONECT 351 349 CONECT 352 353 354 CONECT 353 352 CONECT 354 352 CONECT 355 356 357 CONECT 356 355 CONECT 357 355 CONECT 358 359 360 CONECT 359 358 CONECT 360 358 CONECT 361 362 363 CONECT 362 361 CONECT 363 361 CONECT 364 365 366 CONECT 365 364 CONECT 366 364 CONECT 367 368 369 CONECT 368 367 CONECT 369 367 CONECT 370 371 372 CONECT 371 370 CONECT 372 370 CONECT 373 374 375 CONECT 374 373 CONECT 375 373 CONECT 376 377 378 CONECT 377 376 CONECT 378 376 CONECT 379 380 381 CONECT 380 379 CONECT 381 379 CONECT 382 383 384 CONECT 383 382 CONECT 384 382 CONECT 385 386 387 CONECT 386 385 CONECT 387 385 CONECT 388 389 390 CONECT 389 388 CONECT 390 388 CONECT 391 392 393 CONECT 392 391 CONECT 393 391 CONECT 394 395 396 CONECT 395 394 CONECT 396 394 CONECT 397 398 399 CONECT 398 397 CONECT 399 397 CONECT 400 401 402 CONECT 401 400 CONECT 402 400 CONECT 403 404 405 CONECT 404 403 CONECT 405 403 END