REMARK Materials Studio PDB file REMARK Created: Mon Feb 13 18:03:59 Eastern Standard Time 2006 CRYST1 40.000 40.000 50.300 90.00 90.00 90.00 P1 MODEL 1 ATOM 1 C1 NEW 0 20.806 22.460 19.800 1.00 0.00 C ATOM 2 C2 NEW 0 19.621 23.296 19.195 1.00 0.00 C ATOM 3 C3 NEW 0 18.618 22.304 18.466 1.00 0.00 C ATOM 4 C4 NEW 0 19.364 21.467 17.255 1.00 0.00 C ATOM 5 C5 NEW 0 20.599 20.753 17.952 1.00 0.00 C ATOM 6 C6 NEW 0 21.458 20.021 16.971 1.00 0.00 C ATOM 7 H1 NEW 0 21.618 23.103 20.147 1.00 0.00 H ATOM 8 H2 NEW 0 20.059 23.999 18.465 1.00 0.00 H ATOM 9 H3 NEW 0 18.382 21.547 19.238 1.00 0.00 H ATOM 10 H4 NEW 0 19.730 22.176 16.495 1.00 0.00 H ATOM 11 H5 NEW 0 20.198 20.061 18.708 1.00 0.00 H ATOM 12 H6 NEW 0 21.973 20.784 16.363 1.00 0.00 H ATOM 13 H7 NEW 0 20.857 19.423 16.265 1.00 0.00 H ATOM 14 O1 NEW 0 18.995 23.987 20.265 1.00 0.00 O ATOM 15 O2 NEW 0 17.420 22.961 18.078 1.00 0.00 O ATOM 16 O3 NEW 0 18.509 20.442 16.659 1.00 0.00 O ATOM 17 O4 NEW 0 22.455 19.189 17.557 1.00 0.00 O ATOM 18 O5 NEW 0 21.438 21.775 18.585 1.00 0.00 O ATOM 19 C7 NEW 0 22.073 17.885 17.813 1.00 0.00 C ATOM 20 O6 NEW 0 20.924 17.479 17.791 1.00 0.00 O ATOM 21 H8 NEW 0 23.557 11.922 18.601 1.00 0.00 H ATOM 22 C8 NEW 0 23.474 13.014 18.497 1.00 0.00 C ATOM 23 C9 NEW 0 21.589 12.623 16.868 1.00 0.00 C ATOM 24 C10 NEW 0 22.433 14.912 17.517 1.00 0.00 C ATOM 25 C11 NEW 0 24.338 13.828 19.219 1.00 0.00 C ATOM 26 C12 NEW 0 23.264 15.771 18.230 1.00 0.00 C ATOM 27 H9 NEW 0 25.877 13.992 20.745 1.00 0.00 H ATOM 28 C13 NEW 0 22.513 13.534 17.640 1.00 0.00 C ATOM 29 H10 NEW 0 21.682 15.302 16.815 1.00 0.00 H ATOM 30 N1 NEW 0 23.196 17.159 18.094 1.00 0.00 N ATOM 31 H11 NEW 0 26.164 12.709 19.553 1.00 0.00 H ATOM 32 H12 NEW 0 20.989 11.997 17.547 1.00 0.00 H ATOM 33 H13 NEW 0 22.155 11.949 16.204 1.00 0.00 H ATOM 34 H14 NEW 0 24.901 15.838 19.645 1.00 0.00 H ATOM 35 H15 NEW 0 20.888 13.189 16.239 1.00 0.00 H ATOM 36 C14 NEW 0 24.213 15.201 19.070 1.00 0.00 C ATOM 37 H16 NEW 0 24.933 12.494 20.822 1.00 0.00 H ATOM 38 H17 NEW 0 24.096 17.610 18.180 1.00 0.00 H ATOM 39 C15 NEW 0 25.381 13.227 20.131 1.00 0.00 C ATOM 40 C16 NEW 0 18.353 25.169 19.983 1.00 0.00 C ATOM 41 O7 NEW 0 18.242 25.651 18.870 1.00 0.00 O ATOM 42 H18 NEW 0 15.505 30.201 22.406 1.00 0.00 H ATOM 43 C17 NEW 0 15.995 29.255 22.133 1.00 0.00 C ATOM 44 C18 NEW 0 15.511 28.418 24.465 1.00 0.00 C ATOM 45 C19 NEW 0 16.702 27.060 22.706 1.00 0.00 C ATOM 46 C20 NEW 0 16.513 29.110 20.853 1.00 0.00 C ATOM 47 C21 NEW 0 17.246 26.865 21.440 1.00 0.00 C ATOM 48 H19 NEW 0 15.569 30.896 20.058 1.00 0.00 H ATOM 49 C22 NEW 0 16.079 28.242 23.077 1.00 0.00 C ATOM 50 H20 NEW 0 16.761 26.268 23.467 1.00 0.00 H ATOM 51 N2 NEW 0 17.887 25.669 21.165 1.00 0.00 N ATOM 52 H21 NEW 0 16.283 29.845 18.825 1.00 0.00 H ATOM 53 H22 NEW 0 16.134 27.915 25.220 1.00 0.00 H ATOM 54 H23 NEW 0 14.493 28.001 24.537 1.00 0.00 H ATOM 55 H24 NEW 0 17.549 27.844 19.516 1.00 0.00 H ATOM 56 H25 NEW 0 15.456 29.480 24.747 1.00 0.00 H ATOM 57 C23 NEW 0 17.134 27.911 20.531 1.00 0.00 C ATOM 58 H26 NEW 0 17.335 30.849 19.851 1.00 0.00 H ATOM 59 H27 NEW 0 18.009 25.133 22.013 1.00 0.00 H ATOM 60 C24 NEW 0 16.420 30.232 19.846 1.00 0.00 C ATOM 61 C25 NEW 0 16.242 22.252 18.208 1.00 0.00 C ATOM 62 O8 NEW 0 16.155 21.122 18.654 1.00 0.00 O ATOM 63 H28 NEW 0 10.115 21.788 17.310 1.00 0.00 H ATOM 64 C26 NEW 0 11.182 22.039 17.402 1.00 0.00 C ATOM 65 C27 NEW 0 11.708 19.609 16.974 1.00 0.00 C ATOM 66 C28 NEW 0 13.466 21.375 17.377 1.00 0.00 C ATOM 67 C29 NEW 0 11.542 23.355 17.656 1.00 0.00 C ATOM 68 C30 NEW 0 13.879 22.677 17.639 1.00 0.00 C ATOM 69 H29 NEW 0 9.539 24.025 18.152 1.00 0.00 H ATOM 70 C31 NEW 0 12.125 21.032 17.257 1.00 0.00 C ATOM 71 H30 NEW 0 14.193 20.564 17.236 1.00 0.00 H ATOM 72 N3 NEW 0 15.223 23.036 17.747 1.00 0.00 N ATOM 73 H31 NEW 0 10.309 24.936 16.833 1.00 0.00 H ATOM 74 H32 NEW 0 10.628 19.530 16.787 1.00 0.00 H ATOM 75 H33 NEW 0 11.945 18.948 17.824 1.00 0.00 H ATOM 76 H34 NEW 0 13.165 24.697 17.962 1.00 0.00 H ATOM 77 H35 NEW 0 12.222 19.212 16.084 1.00 0.00 H ATOM 78 C32 NEW 0 12.894 23.649 17.766 1.00 0.00 C ATOM 79 H36 NEW 0 10.807 25.204 18.520 1.00 0.00 H ATOM 80 H37 NEW 0 15.391 23.989 17.455 1.00 0.00 H ATOM 81 C33 NEW 0 10.496 24.435 17.797 1.00 0.00 C ATOM 82 O9 NEW 0 18.509 20.442 33.657 1.00 0.00 O ATOM 83 C34 NEW 0 20.806 22.460 2.802 1.00 0.00 C ATOM 84 C35 NEW 0 19.621 23.296 2.197 1.00 0.00 C ATOM 85 C36 NEW 0 18.618 22.304 1.468 1.00 0.00 C ATOM 86 C37 NEW 0 19.364 21.467 0.257 1.00 0.00 C ATOM 87 C38 NEW 0 20.599 20.753 0.955 1.00 0.00 C ATOM 88 C39 NEW 0 21.411 19.789 0.157 1.00 0.00 C ATOM 89 H38 NEW 0 21.609 23.108 3.173 1.00 0.00 H ATOM 90 H39 NEW 0 20.065 23.986 1.459 1.00 0.00 H ATOM 91 H40 NEW 0 18.414 21.493 2.196 1.00 0.00 H ATOM 92 H41 NEW 0 19.682 22.090 -0.586 1.00 0.00 H ATOM 93 H42 NEW 0 20.135 20.146 1.752 1.00 0.00 H ATOM 94 H43 NEW 0 21.942 20.297 -0.657 1.00 0.00 H ATOM 95 H44 NEW 0 20.733 19.040 -0.288 1.00 0.00 H ATOM 96 O10 NEW 0 19.005 24.019 3.252 1.00 0.00 O ATOM 97 O11 NEW 0 17.385 22.930 1.139 1.00 0.00 O ATOM 98 O12 NEW 0 22.363 19.111 0.972 1.00 0.00 O ATOM 99 H45 NEW 0 10.435 23.718 0.552 1.00 0.00 H ATOM 100 C40 NEW 0 10.456 24.428 1.393 1.00 0.00 C ATOM 101 H46 NEW 0 9.570 24.224 2.012 1.00 0.00 H ATOM 102 H47 NEW 0 10.349 25.444 0.978 1.00 0.00 H ATOM 103 O13 NEW 0 21.438 21.775 1.588 1.00 0.00 O ATOM 104 C41 NEW 0 22.994 18.050 0.349 1.00 0.00 C ATOM 105 O14 NEW 0 22.785 17.692 -0.798 1.00 0.00 O ATOM 106 C42 NEW 0 19.364 21.467 34.252 1.00 0.00 C ATOM 107 C43 NEW 0 18.618 22.304 35.463 1.00 0.00 C ATOM 108 C44 NEW 0 20.599 20.753 34.949 1.00 0.00 C ATOM 109 H48 NEW 0 19.731 22.176 33.493 1.00 0.00 H ATOM 110 C45 NEW 0 19.621 23.296 36.192 1.00 0.00 C ATOM 111 H49 NEW 0 18.346 21.515 36.190 1.00 0.00 H ATOM 112 O15 NEW 0 17.432 22.941 35.010 1.00 0.00 O ATOM 113 C46 NEW 0 21.421 20.011 33.946 1.00 0.00 C ATOM 114 H50 NEW 0 20.201 20.057 35.707 1.00 0.00 H ATOM 115 O16 NEW 0 21.438 21.775 35.583 1.00 0.00 O ATOM 116 N4 NEW 0 23.868 17.486 1.234 1.00 0.00 N ATOM 117 H51 NEW 0 26.778 13.178 0.314 1.00 0.00 H ATOM 118 C47 NEW 0 26.168 14.073 0.504 1.00 0.00 C ATOM 119 C48 NEW 0 28.169 15.087 1.661 1.00 0.00 C ATOM 120 C49 NEW 0 25.949 16.262 1.413 1.00 0.00 C ATOM 121 C50 NEW 0 24.857 14.102 0.051 1.00 0.00 C ATOM 122 C51 NEW 0 26.737 15.143 1.183 1.00 0.00 C ATOM 123 C52 NEW 0 24.110 15.243 0.304 1.00 0.00 C ATOM 124 C53 NEW 0 24.252 12.935 -0.693 1.00 0.00 C ATOM 125 C54 NEW 0 24.633 16.341 0.977 1.00 0.00 C ATOM 126 H52 NEW 0 24.997 12.156 -0.907 1.00 0.00 H ATOM 127 H53 NEW 0 26.408 17.103 1.953 1.00 0.00 H ATOM 128 H54 NEW 0 23.828 13.257 -1.658 1.00 0.00 H ATOM 129 H55 NEW 0 28.229 14.722 2.700 1.00 0.00 H ATOM 130 H56 NEW 0 28.643 16.079 1.625 1.00 0.00 H ATOM 131 H57 NEW 0 23.069 15.241 -0.047 1.00 0.00 H ATOM 132 H58 NEW 0 28.776 14.415 1.036 1.00 0.00 H ATOM 133 H59 NEW 0 23.441 12.468 -0.109 1.00 0.00 H ATOM 134 H60 NEW 0 24.041 17.900 2.139 1.00 0.00 H ATOM 135 C55 NEW 0 18.250 25.122 2.919 1.00 0.00 C ATOM 136 O17 NEW 0 18.234 25.648 1.821 1.00 0.00 O ATOM 137 N5 NEW 0 17.550 25.490 4.033 1.00 0.00 N ATOM 138 H61 NEW 0 13.623 28.945 4.659 1.00 0.00 H ATOM 139 C56 NEW 0 14.453 28.237 4.517 1.00 0.00 C ATOM 140 C57 NEW 0 13.907 28.220 2.053 1.00 0.00 C ATOM 141 C58 NEW 0 15.781 26.882 3.081 1.00 0.00 C ATOM 142 C59 NEW 0 15.183 27.825 5.622 1.00 0.00 C ATOM 143 C60 NEW 0 14.732 27.778 3.238 1.00 0.00 C ATOM 144 C61 NEW 0 16.220 26.927 5.416 1.00 0.00 C ATOM 145 C62 NEW 0 14.860 28.335 7.006 1.00 0.00 C ATOM 146 C63 NEW 0 16.541 26.435 4.156 1.00 0.00 C ATOM 147 H62 NEW 0 13.818 28.681 7.077 1.00 0.00 H ATOM 148 H63 NEW 0 15.960 26.516 2.061 1.00 0.00 H ATOM 149 H64 NEW 0 15.513 29.180 7.283 1.00 0.00 H ATOM 150 H65 NEW 0 13.120 27.482 1.820 1.00 0.00 H ATOM 151 H66 NEW 0 14.529 28.341 1.153 1.00 0.00 H ATOM 152 H67 NEW 0 16.784 26.599 6.302 1.00 0.00 H ATOM 153 H68 NEW 0 13.413 29.185 2.240 1.00 0.00 H ATOM 154 H69 NEW 0 14.992 27.548 7.764 1.00 0.00 H ATOM 155 H70 NEW 0 17.711 25.014 4.910 1.00 0.00 H ATOM 156 C64 NEW 0 16.400 22.914 2.109 1.00 0.00 C ATOM 157 O18 NEW 0 16.522 22.420 3.216 1.00 0.00 O ATOM 158 N6 NEW 0 15.300 23.548 1.608 1.00 0.00 N ATOM 159 H71 NEW 0 10.802 24.783 4.068 1.00 0.00 H ATOM 160 C65 NEW 0 11.741 24.514 3.563 1.00 0.00 C ATOM 161 C66 NEW 0 12.883 24.649 5.808 1.00 0.00 C ATOM 162 C67 NEW 0 14.073 24.062 3.660 1.00 0.00 C ATOM 163 C68 NEW 0 11.731 24.297 2.192 1.00 0.00 C ATOM 164 C69 NEW 0 12.902 24.403 4.317 1.00 0.00 C ATOM 165 C70 NEW 0 12.931 23.969 1.578 1.00 0.00 C ATOM 166 C71 NEW 0 14.119 23.843 2.287 1.00 0.00 C ATOM 167 H72 NEW 0 14.978 23.993 4.278 1.00 0.00 H ATOM 168 H73 NEW 0 13.888 24.571 6.246 1.00 0.00 H ATOM 169 H74 NEW 0 12.241 23.917 6.325 1.00 0.00 H ATOM 170 H75 NEW 0 12.912 23.807 0.490 1.00 0.00 H ATOM 171 H76 NEW 0 12.501 25.656 6.040 1.00 0.00 H ATOM 172 H77 NEW 0 15.274 23.851 0.645 1.00 0.00 H ATOM 173 C72 NEW 0 20.806 22.460 36.797 1.00 0.00 C ATOM 174 H78 NEW 0 21.608 23.108 37.168 1.00 0.00 H ATOM 175 H79 NEW 0 20.073 23.966 35.440 1.00 0.00 H ATOM 176 O19 NEW 0 19.008 24.046 37.231 1.00 0.00 O ATOM 177 H80 NEW 0 21.766 20.738 33.190 1.00 0.00 H ATOM 178 H81 NEW 0 20.789 19.266 33.432 1.00 0.00 H ATOM 179 O20 NEW 0 22.555 19.342 34.490 1.00 0.00 O ATOM 180 C73 NEW 0 18.356 25.209 36.881 1.00 0.00 C ATOM 181 C74 NEW 0 16.441 23.146 35.952 1.00 0.00 C ATOM 182 C75 NEW 0 23.314 18.656 33.557 1.00 0.00 C ATOM 183 O21 NEW 0 23.080 18.625 32.360 1.00 0.00 O ATOM 184 N7 NEW 0 24.347 18.041 34.204 1.00 0.00 N ATOM 185 H82 NEW 0 28.019 14.933 32.026 1.00 0.00 H ATOM 186 C76 NEW 0 27.250 15.580 32.473 1.00 0.00 C ATOM 187 C77 NEW 0 25.945 15.491 32.013 1.00 0.00 C ATOM 188 C78 NEW 0 27.617 16.461 33.480 1.00 0.00 C ATOM 189 C79 NEW 0 29.048 16.546 33.957 1.00 0.00 C ATOM 190 H83 NEW 0 29.100 16.725 35.042 1.00 0.00 H ATOM 191 H84 NEW 0 29.587 17.368 33.456 1.00 0.00 H ATOM 192 H85 NEW 0 29.597 15.615 33.756 1.00 0.00 H ATOM 193 C80 NEW 0 26.630 17.267 34.030 1.00 0.00 C ATOM 194 C81 NEW 0 25.309 17.219 33.603 1.00 0.00 C ATOM 195 H86 NEW 0 26.933 17.960 34.829 1.00 0.00 H ATOM 196 C82 NEW 0 24.992 16.318 32.592 1.00 0.00 C ATOM 197 C83 NEW 0 25.566 14.514 30.927 1.00 0.00 C ATOM 198 H87 NEW 0 26.448 14.129 30.395 1.00 0.00 H ATOM 199 H88 NEW 0 24.506 18.183 35.191 1.00 0.00 H ATOM 200 H89 NEW 0 24.913 14.986 30.177 1.00 0.00 H ATOM 201 H90 NEW 0 23.961 16.219 32.224 1.00 0.00 H ATOM 202 H91 NEW 0 25.030 13.648 31.347 1.00 0.00 H ATOM 203 O22 NEW 0 18.406 25.730 35.782 1.00 0.00 O ATOM 204 N8 NEW 0 17.658 25.636 37.975 1.00 0.00 N ATOM 205 H92 NEW 0 14.339 29.695 38.496 1.00 0.00 H ATOM 206 C84 NEW 0 15.039 28.854 38.382 1.00 0.00 C ATOM 207 C85 NEW 0 14.895 27.744 39.202 1.00 0.00 C ATOM 208 C86 NEW 0 16.037 28.935 37.421 1.00 0.00 C ATOM 209 C87 NEW 0 16.169 30.153 36.537 1.00 0.00 C ATOM 210 H93 NEW 0 17.225 30.412 36.366 1.00 0.00 H ATOM 211 H94 NEW 0 15.687 31.034 36.987 1.00 0.00 H ATOM 212 H95 NEW 0 15.701 29.983 35.553 1.00 0.00 H ATOM 213 C88 NEW 0 16.904 27.860 37.288 1.00 0.00 C ATOM 214 C89 NEW 0 16.800 26.723 38.082 1.00 0.00 C ATOM 215 H96 NEW 0 17.692 27.956 36.528 1.00 0.00 H ATOM 216 C90 NEW 0 15.789 26.697 39.037 1.00 0.00 C ATOM 217 C91 NEW 0 13.802 27.682 40.242 1.00 0.00 C ATOM 218 H97 NEW 0 13.554 26.644 40.508 1.00 0.00 H ATOM 219 H98 NEW 0 17.657 25.086 38.822 1.00 0.00 H ATOM 220 H99 NEW 0 12.877 28.154 39.879 1.00 0.00 H ATOM 221 0H10 NEW 0 15.666 25.822 39.692 1.00 0.00 H ATOM 222 1H10 NEW 0 14.103 28.202 41.168 1.00 0.00 H ATOM 223 O23 NEW 0 16.436 22.659 37.069 1.00 0.00 O ATOM 224 N9 NEW 0 15.511 23.989 35.414 1.00 0.00 N ATOM 225 2H10 NEW 0 11.583 26.451 37.935 1.00 0.00 H ATOM 226 C92 NEW 0 12.397 25.927 37.412 1.00 0.00 C ATOM 227 C93 NEW 0 13.028 26.559 36.350 1.00 0.00 C ATOM 228 C94 NEW 0 12.761 24.657 37.834 1.00 0.00 C ATOM 229 C95 NEW 0 12.061 23.991 38.995 1.00 0.00 C ATOM 230 3H10 NEW 0 11.526 24.721 39.618 1.00 0.00 H ATOM 231 4H10 NEW 0 12.778 23.469 39.648 1.00 0.00 H ATOM 232 5H10 NEW 0 11.324 23.249 38.643 1.00 0.00 H ATOM 233 C96 NEW 0 13.788 24.013 37.156 1.00 0.00 C ATOM 234 C97 NEW 0 14.459 24.607 36.093 1.00 0.00 C ATOM 235 6H10 NEW 0 14.043 23.002 37.500 1.00 0.00 H ATOM 236 C98 NEW 0 14.052 25.879 35.706 1.00 0.00 C ATOM 237 C99 NEW 0 12.610 27.942 35.909 1.00 0.00 C ATOM 238 7H10 NEW 0 12.270 28.549 36.762 1.00 0.00 H ATOM 239 8H10 NEW 0 15.622 24.348 34.476 1.00 0.00 H ATOM 240 9H10 NEW 0 11.784 27.896 35.180 1.00 0.00 H ATOM 241 0H11 NEW 0 14.550 26.394 34.872 1.00 0.00 H ATOM 242 1H11 NEW 0 13.443 28.484 35.437 1.00 0.00 H ATOM 243 C1 NEW 0 22.401 19.144 24.000 1.00 0.00 C ATOM 244 C2 NEW 0 23.232 20.329 23.399 1.00 0.00 C ATOM 245 C3 NEW 0 22.258 21.349 22.691 1.00 0.00 C ATOM 246 C4 NEW 0 21.381 20.638 21.491 1.00 0.00 C ATOM 247 C5 NEW 0 20.665 19.397 22.191 1.00 0.00 C ATOM 248 C6 NEW 0 19.938 18.577 21.168 1.00 0.00 C ATOM 249 H1 NEW 0 23.039 18.332 24.364 1.00 0.00 H ATOM 250 H2 NEW 0 23.977 19.943 22.685 1.00 0.00 H ATOM 251 H3 NEW 0 21.528 21.632 23.471 1.00 0.00 H ATOM 252 H4 NEW 0 22.070 20.273 20.713 1.00 0.00 H ATOM 253 H5 NEW 0 19.985 19.792 22.963 1.00 0.00 H ATOM 254 H6 NEW 0 20.675 18.319 20.388 1.00 0.00 H ATOM 255 H7 NEW 0 19.148 19.161 20.666 1.00 0.00 H ATOM 256 O1 NEW 0 23.856 20.953 24.516 1.00 0.00 O ATOM 257 O2 NEW 0 22.978 22.501 22.283 1.00 0.00 O ATOM 258 O3 NEW 0 20.363 21.528 20.928 1.00 0.00 O ATOM 259 O4 NEW 0 19.396 17.346 21.636 1.00 0.00 O ATOM 260 C7 NEW 0 24.249 29.248 23.884 1.00 0.00 C ATOM 261 O5 NEW 0 21.686 18.527 22.798 1.00 0.00 O ATOM 262 C8 NEW 0 18.206 17.420 22.326 1.00 0.00 C ATOM 263 O6 NEW 0 17.623 18.452 22.604 1.00 0.00 O ATOM 264 H8 NEW 0 13.752 14.951 25.796 1.00 0.00 H ATOM 265 C9 NEW 0 14.597 15.207 25.140 1.00 0.00 C ATOM 266 C10 NEW 0 15.617 16.480 27.072 1.00 0.00 C ATOM 267 C11 NEW 0 16.680 16.299 24.795 1.00 0.00 C ATOM 268 C12 NEW 0 14.596 14.737 23.832 1.00 0.00 C ATOM 269 C13 NEW 0 16.723 15.849 23.482 1.00 0.00 C ATOM 270 H9 NEW 0 13.760 13.298 22.436 1.00 0.00 H ATOM 271 C14 NEW 0 15.627 15.990 25.644 1.00 0.00 C ATOM 272 H10 NEW 0 17.494 16.914 25.204 1.00 0.00 H ATOM 273 N1 NEW 0 17.817 16.150 22.643 1.00 0.00 N ATOM 274 H11 NEW 0 12.602 14.520 23.009 1.00 0.00 H ATOM 275 H12 NEW 0 16.387 15.966 27.670 1.00 0.00 H ATOM 276 H13 NEW 0 14.648 16.303 27.560 1.00 0.00 H ATOM 277 H14 NEW 0 15.661 14.699 21.987 1.00 0.00 H ATOM 278 H15 NEW 0 15.817 17.562 27.126 1.00 0.00 H ATOM 279 C15 NEW 0 15.671 15.070 23.021 1.00 0.00 C ATOM 280 H16 NEW 0 13.100 13.185 24.076 1.00 0.00 H ATOM 281 H17 NEW 0 18.258 15.338 22.236 1.00 0.00 H ATOM 282 C16 NEW 0 13.458 13.892 23.311 1.00 0.00 C ATOM 283 C17 NEW 0 24.766 21.961 24.271 1.00 0.00 C ATOM 284 O7 NEW 0 25.447 22.052 23.267 1.00 0.00 O ATOM 285 H18 NEW 0 27.119 27.456 26.001 1.00 0.00 H ATOM 286 C18 NEW 0 26.631 26.480 25.862 1.00 0.00 C ATOM 287 C19 NEW 0 28.634 25.768 24.503 1.00 0.00 C ATOM 288 C20 NEW 0 26.644 24.282 24.946 1.00 0.00 C ATOM 289 C21 NEW 0 25.388 26.262 26.437 1.00 0.00 C ATOM 290 C22 NEW 0 25.397 24.017 25.499 1.00 0.00 C ATOM 291 H19 NEW 0 25.266 28.273 27.248 1.00 0.00 H ATOM 292 C23 NEW 0 27.280 25.504 25.117 1.00 0.00 C ATOM 293 H20 NEW 0 27.180 23.521 24.362 1.00 0.00 H ATOM 294 N2 NEW 0 24.745 22.796 25.350 1.00 0.00 N ATOM 295 H21 NEW 0 24.558 27.024 28.289 1.00 0.00 H ATOM 296 H22 NEW 0 29.255 24.860 24.492 1.00 0.00 H ATOM 297 H23 NEW 0 29.190 26.534 25.065 1.00 0.00 H ATOM 298 H24 NEW 0 23.809 24.860 26.707 1.00 0.00 H ATOM 299 H25 NEW 0 28.538 26.122 23.463 1.00 0.00 H ATOM 300 C24 NEW 0 24.794 25.022 26.246 1.00 0.00 C ATOM 301 H26 NEW 0 23.699 27.563 26.826 1.00 0.00 H ATOM 302 H27 NEW 0 24.126 22.616 26.129 1.00 0.00 H ATOM 303 C25 NEW 0 24.694 27.335 27.241 1.00 0.00 C ATOM 304 C26 NEW 0 22.353 23.723 22.390 1.00 0.00 C ATOM 305 O8 NEW 0 21.164 23.882 22.595 1.00 0.00 O ATOM 306 H28 NEW 0 22.252 29.873 22.146 1.00 0.00 H ATOM 307 C27 NEW 0 22.466 28.794 22.156 1.00 0.00 C ATOM 308 C28 NEW 0 20.649 28.516 20.432 1.00 0.00 C ATOM 309 C29 NEW 0 22.000 26.598 21.371 1.00 0.00 C ATOM 310 C30 NEW 0 23.467 28.314 22.991 1.00 0.00 C ATOM 311 C31 NEW 0 22.995 26.074 22.187 1.00 0.00 C ATOM 312 H29 NEW 0 23.726 29.414 24.841 1.00 0.00 H ATOM 313 C32 NEW 0 21.722 27.955 21.334 1.00 0.00 C ATOM 314 H30 NEW 0 21.409 25.942 20.715 1.00 0.00 H ATOM 315 N3 NEW 0 23.288 24.698 22.200 1.00 0.00 N ATOM 316 H31 NEW 0 24.397 30.229 23.408 1.00 0.00 H ATOM 317 H32 NEW 0 19.875 29.044 21.013 1.00 0.00 H ATOM 318 H33 NEW 0 20.147 27.727 19.855 1.00 0.00 H ATOM 319 H34 NEW 0 24.517 26.579 23.640 1.00 0.00 H ATOM 320 H35 NEW 0 21.071 29.232 19.708 1.00 0.00 H ATOM 321 C33 NEW 0 23.718 26.951 22.983 1.00 0.00 C ATOM 322 H36 NEW 0 25.246 28.845 24.115 1.00 0.00 H ATOM 323 H37 NEW 0 24.270 24.482 22.107 1.00 0.00 H ATOM 324 C34 NEW 0 22.401 19.144 7.002 1.00 0.00 C ATOM 325 C35 NEW 0 23.232 20.329 6.402 1.00 0.00 C ATOM 326 C36 NEW 0 22.258 21.349 5.694 1.00 0.00 C ATOM 327 C37 NEW 0 21.381 20.638 4.493 1.00 0.00 C ATOM 328 C38 NEW 0 20.665 19.397 5.194 1.00 0.00 C ATOM 329 C39 NEW 0 19.879 18.530 4.262 1.00 0.00 C ATOM 330 H38 NEW 0 23.047 18.336 7.362 1.00 0.00 H ATOM 331 H39 NEW 0 23.878 19.876 5.628 1.00 0.00 H ATOM 332 H40 NEW 0 21.493 21.655 6.431 1.00 0.00 H ATOM 333 H41 NEW 0 22.069 20.276 3.713 1.00 0.00 H ATOM 334 H42 NEW 0 20.008 19.817 5.970 1.00 0.00 H ATOM 335 H43 NEW 0 20.597 18.037 3.584 1.00 0.00 H ATOM 336 H44 NEW 0 19.189 19.103 3.620 1.00 0.00 H ATOM 337 O9 NEW 0 24.028 20.908 7.428 1.00 0.00 O ATOM 338 O10 NEW 0 22.924 22.510 5.214 1.00 0.00 O ATOM 339 O11 NEW 0 20.363 21.528 3.930 1.00 0.00 O ATOM 340 O12 NEW 0 19.165 17.510 4.958 1.00 0.00 O ATOM 341 H45 NEW 0 24.329 24.277 4.590 1.00 0.00 H ATOM 342 N4 NEW 0 24.041 24.399 5.551 1.00 0.00 N ATOM 343 C40 NEW 0 24.383 27.827 9.136 1.00 0.00 C ATOM 344 C41 NEW 0 24.922 27.148 7.900 1.00 0.00 C ATOM 345 O13 NEW 0 21.686 18.527 5.801 1.00 0.00 O ATOM 346 H46 NEW 0 23.817 27.125 9.766 1.00 0.00 H ATOM 347 H47 NEW 0 25.194 28.238 9.756 1.00 0.00 H ATOM 348 H48 NEW 0 23.711 28.660 8.871 1.00 0.00 H ATOM 349 C42 NEW 0 17.961 17.896 5.513 1.00 0.00 C ATOM 350 O14 NEW 0 17.416 18.967 5.311 1.00 0.00 O ATOM 351 N5 NEW 0 17.506 16.887 6.312 1.00 0.00 N ATOM 352 H49 NEW 0 13.165 17.242 9.304 1.00 0.00 H ATOM 353 C43 NEW 0 14.067 17.165 8.679 1.00 0.00 C ATOM 354 C44 NEW 0 15.339 16.429 10.732 1.00 0.00 C ATOM 355 C45 NEW 0 16.377 16.655 8.446 1.00 0.00 C ATOM 356 C46 NEW 0 13.973 17.477 7.328 1.00 0.00 C ATOM 357 C47 NEW 0 15.257 16.752 9.260 1.00 0.00 C ATOM 358 C48 NEW 0 15.122 17.377 6.557 1.00 0.00 C ATOM 359 C49 NEW 0 12.658 17.914 6.728 1.00 0.00 C ATOM 360 C50 NEW 0 16.338 16.975 7.095 1.00 0.00 C ATOM 361 H50 NEW 0 12.708 17.971 5.632 1.00 0.00 H ATOM 362 H51 NEW 0 17.316 16.328 8.914 1.00 0.00 H ATOM 363 H52 NEW 0 12.361 18.909 7.099 1.00 0.00 H ATOM 364 H53 NEW 0 15.832 17.244 11.289 1.00 0.00 H ATOM 365 H54 NEW 0 15.915 15.506 10.901 1.00 0.00 H ATOM 366 H55 NEW 0 15.038 17.629 5.490 1.00 0.00 H ATOM 367 H56 NEW 0 14.344 16.280 11.174 1.00 0.00 H ATOM 368 H57 NEW 0 11.851 17.208 6.981 1.00 0.00 H ATOM 369 H58 NEW 0 18.044 16.046 6.464 1.00 0.00 H ATOM 370 C51 NEW 0 25.197 21.534 7.046 1.00 0.00 C ATOM 371 O15 NEW 0 25.679 21.483 5.929 1.00 0.00 O ATOM 372 N6 NEW 0 25.676 22.216 8.130 1.00 0.00 N ATOM 373 H59 NEW 0 29.567 25.764 8.399 1.00 0.00 H ATOM 374 C52 NEW 0 28.764 25.015 8.337 1.00 0.00 C ATOM 375 C53 NEW 0 29.953 24.020 6.346 1.00 0.00 C ATOM 376 C54 NEW 0 27.791 23.116 7.281 1.00 0.00 C ATOM 377 C55 NEW 0 27.726 25.065 9.258 1.00 0.00 C ATOM 378 C56 NEW 0 28.815 24.052 7.339 1.00 0.00 C ATOM 379 C57 NEW 0 26.724 24.112 9.157 1.00 0.00 C ATOM 380 C58 NEW 0 27.695 26.123 10.335 1.00 0.00 C ATOM 381 C59 NEW 0 26.725 23.128 8.174 1.00 0.00 C ATOM 382 H60 NEW 0 27.997 27.106 9.939 1.00 0.00 H ATOM 383 H61 NEW 0 27.870 22.358 6.491 1.00 0.00 H ATOM 384 H62 NEW 0 28.379 25.871 11.162 1.00 0.00 H ATOM 385 H63 NEW 0 30.488 24.980 6.311 1.00 0.00 H ATOM 386 H64 NEW 0 29.587 23.815 5.328 1.00 0.00 H ATOM 387 H65 NEW 0 25.903 24.167 9.888 1.00 0.00 H ATOM 388 H66 NEW 0 30.687 23.238 6.604 1.00 0.00 H ATOM 389 H67 NEW 0 26.688 26.240 10.760 1.00 0.00 H ATOM 390 H68 NEW 0 25.166 22.197 9.002 1.00 0.00 H ATOM 391 C60 NEW 0 23.213 23.489 6.143 1.00 0.00 C ATOM 392 O16 NEW 0 22.800 23.500 7.288 1.00 0.00 O ATOM 393 H69 NEW 0 26.678 28.380 7.789 1.00 0.00 H ATOM 394 C61 NEW 0 26.120 27.553 7.327 1.00 0.00 C ATOM 395 C62 NEW 0 27.945 27.398 5.592 1.00 0.00 C ATOM 396 C63 NEW 0 25.912 25.902 5.630 1.00 0.00 C ATOM 397 C64 NEW 0 26.637 26.941 6.194 1.00 0.00 C ATOM 398 C65 NEW 0 24.233 26.104 7.299 1.00 0.00 C ATOM 399 C66 NEW 0 24.708 25.457 6.164 1.00 0.00 C ATOM 400 H70 NEW 0 26.335 25.422 4.736 1.00 0.00 H ATOM 401 H71 NEW 0 28.434 26.589 5.030 1.00 0.00 H ATOM 402 H72 NEW 0 28.651 27.724 6.370 1.00 0.00 H ATOM 403 H73 NEW 0 23.284 25.815 7.769 1.00 0.00 H ATOM 404 H74 NEW 0 27.793 28.243 4.900 1.00 0.00 H ATOM 405 O17 NEW 0 20.363 21.528 37.925 1.00 0.00 O ATOM 406 C67 NEW 0 22.401 19.144 40.997 1.00 0.00 C ATOM 407 C68 NEW 0 23.232 20.329 40.397 1.00 0.00 C ATOM 408 H75 NEW 0 23.020 18.315 41.354 1.00 0.00 H ATOM 409 O18 NEW 0 21.686 18.527 39.796 1.00 0.00 O ATOM 410 C69 NEW 0 22.258 21.349 39.689 1.00 0.00 C ATOM 411 H76 NEW 0 23.937 19.932 39.647 1.00 0.00 H ATOM 412 O19 NEW 0 23.949 20.980 41.440 1.00 0.00 O ATOM 413 C70 NEW 0 21.381 20.638 38.488 1.00 0.00 C ATOM 414 H77 NEW 0 21.490 21.620 40.433 1.00 0.00 H ATOM 415 O20 NEW 0 22.908 22.536 39.252 1.00 0.00 O ATOM 416 C71 NEW 0 20.665 19.397 39.189 1.00 0.00 C ATOM 417 H78 NEW 0 22.065 20.275 37.705 1.00 0.00 H ATOM 418 C72 NEW 0 19.779 18.556 38.321 1.00 0.00 C ATOM 419 H79 NEW 0 20.028 19.822 39.981 1.00 0.00 H ATOM 420 H80 NEW 0 20.370 18.027 37.555 1.00 0.00 H ATOM 421 H81 NEW 0 19.060 19.194 37.781 1.00 0.00 H ATOM 422 O21 NEW 0 19.021 17.632 39.101 1.00 0.00 O ATOM 423 C73 NEW 0 24.856 20.216 42.147 1.00 0.00 C ATOM 424 C74 NEW 0 23.087 23.523 40.203 1.00 0.00 C ATOM 425 C75 NEW 0 19.674 16.491 39.529 1.00 0.00 C ATOM 426 O22 NEW 0 20.706 16.057 39.049 1.00 0.00 O ATOM 427 N7 NEW 0 18.956 15.954 40.562 1.00 0.00 N ATOM 428 H82 NEW 0 20.437 12.329 44.092 1.00 0.00 H ATOM 429 C76 NEW 0 20.135 13.071 43.339 1.00 0.00 C ATOM 430 C77 NEW 0 21.118 13.790 42.673 1.00 0.00 C ATOM 431 C78 NEW 0 18.784 13.271 43.094 1.00 0.00 C ATOM 432 C79 NEW 0 17.733 12.485 43.840 1.00 0.00 C ATOM 433 H83 NEW 0 17.300 11.693 43.207 1.00 0.00 H ATOM 434 H84 NEW 0 16.909 13.136 44.174 1.00 0.00 H ATOM 435 H85 NEW 0 18.149 12.003 44.737 1.00 0.00 H ATOM 436 C80 NEW 0 18.429 14.221 42.146 1.00 0.00 C ATOM 437 C81 NEW 0 19.374 14.967 41.451 1.00 0.00 C ATOM 438 H86 NEW 0 17.355 14.377 41.970 1.00 0.00 H ATOM 439 C82 NEW 0 20.716 14.728 41.734 1.00 0.00 C ATOM 440 C83 NEW 0 22.579 13.567 42.987 1.00 0.00 C ATOM 441 H87 NEW 0 22.822 13.914 44.005 1.00 0.00 H ATOM 442 H88 NEW 0 18.043 16.317 40.797 1.00 0.00 H ATOM 443 H89 NEW 0 23.234 14.107 42.288 1.00 0.00 H ATOM 444 H90 NEW 0 21.513 15.307 41.247 1.00 0.00 H ATOM 445 H91 NEW 0 22.842 12.500 42.924 1.00 0.00 H ATOM 446 O23 NEW 0 25.346 19.174 41.750 1.00 0.00 O ATOM 447 N8 NEW 0 25.096 20.836 43.339 1.00 0.00 N ATOM 448 H92 NEW 0 28.026 18.813 47.244 1.00 0.00 H ATOM 449 C84 NEW 0 27.419 19.232 46.427 1.00 0.00 C ATOM 450 C85 NEW 0 26.092 19.556 46.677 1.00 0.00 C ATOM 451 C86 NEW 0 28.004 19.417 45.181 1.00 0.00 C ATOM 452 C87 NEW 0 29.456 19.076 44.944 1.00 0.00 C ATOM 453 H93 NEW 0 29.624 18.723 43.916 1.00 0.00 H ATOM 454 H94 NEW 0 29.800 18.281 45.622 1.00 0.00 H ATOM 455 H95 NEW 0 30.102 19.955 45.106 1.00 0.00 H ATOM 456 C88 NEW 0 27.217 19.941 44.165 1.00 0.00 C ATOM 457 C89 NEW 0 25.888 20.288 44.371 1.00 0.00 C ATOM 458 H96 NEW 0 27.687 20.083 43.182 1.00 0.00 H ATOM 459 C90 NEW 0 25.350 20.094 45.636 1.00 0.00 C ATOM 460 C91 NEW 0 25.483 19.334 48.041 1.00 0.00 C ATOM 461 H97 NEW 0 24.386 19.397 48.009 1.00 0.00 H ATOM 462 H98 NEW 0 24.608 21.680 43.602 1.00 0.00 H ATOM 463 H99 NEW 0 25.839 20.085 48.766 1.00 0.00 H ATOM 464 0H10 NEW 0 24.301 20.352 45.841 1.00 0.00 H ATOM 465 1H10 NEW 0 25.738 18.338 48.436 1.00 0.00 H ATOM 466 O24 NEW 0 22.802 23.410 41.381 1.00 0.00 O ATOM 467 N9 NEW 0 23.615 24.623 39.589 1.00 0.00 N ATOM 468 2H10 NEW 0 24.446 29.364 41.752 1.00 0.00 H ATOM 469 C92 NEW 0 24.280 28.372 41.308 1.00 0.00 C ATOM 470 C93 NEW 0 24.401 27.246 42.111 1.00 0.00 C ATOM 471 C94 NEW 0 23.962 28.283 39.959 1.00 0.00 C ATOM 472 C95 NEW 0 23.843 29.524 39.107 1.00 0.00 C ATOM 473 3H10 NEW 0 23.198 29.354 38.233 1.00 0.00 H ATOM 474 4H10 NEW 0 24.830 29.849 38.736 1.00 0.00 H ATOM 475 5H10 NEW 0 23.406 30.359 39.675 1.00 0.00 H ATOM 476 C96 NEW 0 23.759 27.020 39.422 1.00 0.00 C ATOM 477 C97 NEW 0 23.854 25.863 40.186 1.00 0.00 C ATOM 478 6H10 NEW 0 23.501 26.964 38.354 1.00 0.00 H ATOM 479 C98 NEW 0 24.192 26.005 41.527 1.00 0.00 C ATOM 480 C99 NEW 0 24.756 27.370 43.574 1.00 0.00 C ATOM 481 7H10 NEW 0 25.848 27.424 43.717 1.00 0.00 H ATOM 482 8H10 NEW 0 23.792 24.629 38.595 1.00 0.00 H ATOM 483 9H10 NEW 0 24.385 26.512 44.154 1.00 0.00 H ATOM 484 0H11 NEW 0 24.314 25.131 42.182 1.00 0.00 H ATOM 485 1H11 NEW 0 24.316 28.276 44.018 1.00 0.00 H ATOM 486 C1 NEW 0 19.187 17.626 28.311 1.00 0.00 C ATOM 487 C2 NEW 0 20.351 16.773 27.697 1.00 0.00 C ATOM 488 C3 NEW 0 21.351 17.743 26.932 1.00 0.00 C ATOM 489 C4 NEW 0 20.610 18.589 25.726 1.00 0.00 C ATOM 490 C5 NEW 0 19.387 19.320 26.438 1.00 0.00 C ATOM 491 C6 NEW 0 18.410 20.053 25.559 1.00 0.00 C ATOM 492 H1 NEW 0 18.372 16.991 28.669 1.00 0.00 H ATOM 493 H2 NEW 0 19.837 16.162 26.931 1.00 0.00 H ATOM 494 H3 NEW 0 21.618 18.550 27.640 1.00 0.00 H ATOM 495 H4 NEW 0 20.237 17.892 24.960 1.00 0.00 H ATOM 496 H5 NEW 0 19.842 20.043 27.138 1.00 0.00 H ATOM 497 H6 NEW 0 17.521 20.312 26.160 1.00 0.00 H ATOM 498 H7 NEW 0 18.055 19.376 24.771 1.00 0.00 H ATOM 499 O1 NEW 0 20.971 15.912 28.641 1.00 0.00 O ATOM 500 O2 NEW 0 22.556 17.117 26.506 1.00 0.00 O ATOM 501 O3 NEW 0 21.487 19.600 25.138 1.00 0.00 O ATOM 502 O4 NEW 0 18.952 21.218 24.947 1.00 0.00 O ATOM 503 C7 NEW 0 28.682 13.621 27.280 1.00 0.00 C ATOM 504 O5 NEW 0 18.604 18.340 27.182 1.00 0.00 O ATOM 505 C8 NEW 0 19.014 22.345 25.744 1.00 0.00 C ATOM 506 O6 NEW 0 18.606 22.408 26.890 1.00 0.00 O ATOM 507 H8 NEW 0 20.793 28.163 26.842 1.00 0.00 H ATOM 508 C9 NEW 0 20.547 27.158 26.469 1.00 0.00 C ATOM 509 C10 NEW 0 19.748 28.247 24.342 1.00 0.00 C ATOM 510 C11 NEW 0 19.708 25.754 24.741 1.00 0.00 C ATOM 511 C12 NEW 0 20.776 26.061 27.285 1.00 0.00 C ATOM 512 C13 NEW 0 19.906 24.625 25.525 1.00 0.00 C ATOM 513 H9 NEW 0 20.655 25.886 29.442 1.00 0.00 H ATOM 514 C14 NEW 0 20.010 27.029 25.194 1.00 0.00 C ATOM 515 H10 NEW 0 19.297 25.662 23.727 1.00 0.00 H ATOM 516 N1 NEW 0 19.593 23.352 25.028 1.00 0.00 N ATOM 517 H11 NEW 0 21.628 27.261 28.883 1.00 0.00 H ATOM 518 H12 NEW 0 19.588 27.981 23.288 1.00 0.00 H ATOM 519 H13 NEW 0 20.593 28.952 24.379 1.00 0.00 H ATOM 520 H14 NEW 0 20.624 23.949 27.454 1.00 0.00 H ATOM 521 H15 NEW 0 18.849 28.787 24.686 1.00 0.00 H ATOM 522 C15 NEW 0 20.441 24.807 26.794 1.00 0.00 C ATOM 523 H16 NEW 0 22.284 25.617 28.778 1.00 0.00 H ATOM 524 H17 NEW 0 19.817 23.241 24.049 1.00 0.00 H ATOM 525 C16 NEW 0 21.366 26.216 28.666 1.00 0.00 C ATOM 526 C17 NEW 0 21.579 14.791 28.105 1.00 0.00 C ATOM 527 O7 NEW 0 21.520 14.467 26.930 1.00 0.00 O ATOM 528 H18 NEW 0 25.299 9.864 28.651 1.00 0.00 H ATOM 529 C18 NEW 0 24.659 10.755 28.738 1.00 0.00 C ATOM 530 C19 NEW 0 25.429 11.422 26.432 1.00 0.00 C ATOM 531 C20 NEW 0 23.806 12.774 27.816 1.00 0.00 C ATOM 532 C21 NEW 0 23.923 10.945 29.899 1.00 0.00 C ATOM 533 C22 NEW 0 23.044 13.007 28.956 1.00 0.00 C ATOM 534 H19 NEW 0 24.714 10.285 31.807 1.00 0.00 H ATOM 535 C23 NEW 0 24.615 11.657 27.682 1.00 0.00 C ATOM 536 H20 NEW 0 23.804 13.484 26.978 1.00 0.00 H ATOM 537 N2 NEW 0 22.239 14.139 29.105 1.00 0.00 N ATOM 538 H21 NEW 0 24.307 8.961 30.692 1.00 0.00 H ATOM 539 H22 NEW 0 26.509 11.489 26.642 1.00 0.00 H ATOM 540 H23 NEW 0 25.199 12.159 25.649 1.00 0.00 H ATOM 541 H24 NEW 0 22.557 12.221 30.915 1.00 0.00 H ATOM 542 H25 NEW 0 25.231 10.424 26.009 1.00 0.00 H ATOM 543 C24 NEW 0 23.128 12.078 29.986 1.00 0.00 C ATOM 544 H26 NEW 0 23.015 9.837 31.527 1.00 0.00 H ATOM 545 H27 NEW 0 22.170 14.449 30.064 1.00 0.00 H ATOM 546 C25 NEW 0 23.994 9.956 31.039 1.00 0.00 C ATOM 547 C26 NEW 0 23.558 17.028 27.457 1.00 0.00 C ATOM 548 O8 NEW 0 23.466 17.433 28.602 1.00 0.00 O ATOM 549 H28 NEW 0 29.364 15.547 29.074 1.00 0.00 H ATOM 550 C27 NEW 0 28.376 15.732 28.626 1.00 0.00 C ATOM 551 C28 NEW 0 28.215 17.830 30.028 1.00 0.00 C ATOM 552 C29 NEW 0 26.411 17.059 28.448 1.00 0.00 C ATOM 553 C30 NEW 0 27.885 14.838 27.684 1.00 0.00 C ATOM 554 C31 NEW 0 25.876 16.197 27.496 1.00 0.00 C ATOM 555 H29 NEW 0 29.764 13.806 27.349 1.00 0.00 H ATOM 556 C32 NEW 0 27.658 16.852 29.020 1.00 0.00 C ATOM 557 H30 NEW 0 25.870 17.954 28.780 1.00 0.00 H ATOM 558 N3 NEW 0 24.638 16.416 26.890 1.00 0.00 N ATOM 559 H31 NEW 0 28.468 13.325 26.242 1.00 0.00 H ATOM 560 H32 NEW 0 29.006 17.375 30.642 1.00 0.00 H ATOM 561 H33 NEW 0 27.432 18.187 30.714 1.00 0.00 H ATOM 562 H34 NEW 0 26.267 14.383 26.380 1.00 0.00 H ATOM 563 H35 NEW 0 28.648 18.712 29.527 1.00 0.00 H ATOM 564 C33 NEW 0 26.639 15.095 27.130 1.00 0.00 C ATOM 565 H36 NEW 0 28.448 12.759 27.929 1.00 0.00 H ATOM 566 H37 NEW 0 24.593 16.028 25.960 1.00 0.00 H ATOM 567 C34 NEW 0 19.187 17.626 11.314 1.00 0.00 C ATOM 568 C35 NEW 0 20.351 16.773 10.699 1.00 0.00 C ATOM 569 C36 NEW 0 21.351 17.743 9.935 1.00 0.00 C ATOM 570 C37 NEW 0 20.610 18.589 8.729 1.00 0.00 C ATOM 571 C38 NEW 0 19.387 19.320 9.440 1.00 0.00 C ATOM 572 C39 NEW 0 18.481 20.052 8.488 1.00 0.00 C ATOM 573 H38 NEW 0 18.377 16.990 11.682 1.00 0.00 H ATOM 574 H39 NEW 0 19.893 16.070 9.982 1.00 0.00 H ATOM 575 H40 NEW 0 21.637 18.537 10.649 1.00 0.00 H ATOM 576 H41 NEW 0 20.234 17.889 7.966 1.00 0.00 H ATOM 577 H42 NEW 0 19.821 19.995 10.198 1.00 0.00 H ATOM 578 H43 NEW 0 18.574 19.617 7.484 1.00 0.00 H ATOM 579 H44 NEW 0 18.743 21.116 8.366 1.00 0.00 H ATOM 580 O9 NEW 0 20.954 16.087 11.786 1.00 0.00 O ATOM 581 O10 NEW 0 22.533 17.079 9.501 1.00 0.00 O ATOM 582 O11 NEW 0 21.487 19.600 8.141 1.00 0.00 O ATOM 583 O12 NEW 0 17.098 19.928 8.831 1.00 0.00 O ATOM 584 H45 NEW 0 24.270 15.549 9.058 1.00 0.00 H ATOM 585 N4 NEW 0 24.374 15.922 9.992 1.00 0.00 N ATOM 586 C40 NEW 0 27.543 15.641 13.815 1.00 0.00 C ATOM 587 C41 NEW 0 26.888 15.038 12.595 1.00 0.00 C ATOM 588 O13 NEW 0 18.557 18.309 10.102 1.00 0.00 O ATOM 589 H46 NEW 0 26.832 15.706 14.656 1.00 0.00 H ATOM 590 H47 NEW 0 28.401 15.042 14.153 1.00 0.00 H ATOM 591 H48 NEW 0 27.914 16.657 13.609 1.00 0.00 H ATOM 592 C42 NEW 0 16.654 20.692 9.889 1.00 0.00 C ATOM 593 O14 NEW 0 17.273 21.621 10.371 1.00 0.00 O ATOM 594 N5 NEW 0 15.429 20.222 10.268 1.00 0.00 N ATOM 595 H49 NEW 0 12.361 21.512 14.359 1.00 0.00 H ATOM 596 C43 NEW 0 13.007 21.254 13.508 1.00 0.00 C ATOM 597 C44 NEW 0 14.385 23.302 14.033 1.00 0.00 C ATOM 598 C45 NEW 0 14.882 21.733 12.123 1.00 0.00 C ATOM 599 C46 NEW 0 12.717 20.121 12.762 1.00 0.00 C ATOM 600 C47 NEW 0 14.082 22.075 13.205 1.00 0.00 C ATOM 601 C48 NEW 0 13.548 19.818 11.693 1.00 0.00 C ATOM 602 C49 NEW 0 11.541 19.237 13.105 1.00 0.00 C ATOM 603 C50 NEW 0 14.643 20.603 11.346 1.00 0.00 C ATOM 604 H50 NEW 0 10.970 18.965 12.204 1.00 0.00 H ATOM 605 H51 NEW 0 15.716 22.416 11.918 1.00 0.00 H ATOM 606 H52 NEW 0 10.846 19.736 13.794 1.00 0.00 H ATOM 607 H53 NEW 0 15.259 23.137 14.683 1.00 0.00 H ATOM 608 H54 NEW 0 13.537 23.577 14.676 1.00 0.00 H ATOM 609 H55 NEW 0 13.307 18.910 11.121 1.00 0.00 H ATOM 610 H56 NEW 0 14.603 24.171 13.393 1.00 0.00 H ATOM 611 H57 NEW 0 11.872 18.302 13.587 1.00 0.00 H ATOM 612 H58 NEW 0 15.019 19.441 9.775 1.00 0.00 H ATOM 613 C51 NEW 0 21.534 14.861 11.562 1.00 0.00 C ATOM 614 O15 NEW 0 21.483 14.249 10.511 1.00 0.00 O ATOM 615 N6 NEW 0 22.165 14.495 12.718 1.00 0.00 N ATOM 616 H59 NEW 0 25.298 10.404 13.810 1.00 0.00 H ATOM 617 C52 NEW 0 24.638 11.252 13.574 1.00 0.00 C ATOM 618 C53 NEW 0 25.656 12.478 15.529 1.00 0.00 C ATOM 619 C54 NEW 0 23.860 13.447 14.042 1.00 0.00 C ATOM 620 C55 NEW 0 23.773 11.151 12.493 1.00 0.00 C ATOM 621 C56 NEW 0 24.701 12.393 14.362 1.00 0.00 C ATOM 622 C57 NEW 0 22.952 12.234 12.211 1.00 0.00 C ATOM 623 C58 NEW 0 23.720 9.898 11.653 1.00 0.00 C ATOM 624 C59 NEW 0 22.976 13.399 12.970 1.00 0.00 C ATOM 625 H60 NEW 0 23.556 10.135 10.590 1.00 0.00 H ATOM 626 H61 NEW 0 23.919 14.346 14.673 1.00 0.00 H ATOM 627 H62 NEW 0 22.903 9.232 11.978 1.00 0.00 H ATOM 628 H63 NEW 0 25.640 13.472 15.998 1.00 0.00 H ATOM 629 H64 NEW 0 26.692 12.283 15.211 1.00 0.00 H ATOM 630 H65 NEW 0 22.271 12.119 11.357 1.00 0.00 H ATOM 631 H66 NEW 0 25.399 11.741 16.309 1.00 0.00 H ATOM 632 H67 NEW 0 24.659 9.328 11.715 1.00 0.00 H ATOM 633 H68 NEW 0 22.144 15.118 13.514 1.00 0.00 H ATOM 634 C60 NEW 0 23.488 16.845 10.475 1.00 0.00 C ATOM 635 O16 NEW 0 23.500 17.372 11.573 1.00 0.00 O ATOM 636 H69 NEW 0 27.904 13.152 12.770 1.00 0.00 H ATOM 637 C61 NEW 0 27.176 13.742 12.194 1.00 0.00 C ATOM 638 C62 NEW 0 26.916 11.755 10.661 1.00 0.00 C ATOM 639 C63 NEW 0 25.662 13.927 10.371 1.00 0.00 C ATOM 640 C64 NEW 0 26.577 13.166 11.082 1.00 0.00 C ATOM 641 C65 NEW 0 25.970 15.763 11.848 1.00 0.00 C ATOM 642 C66 NEW 0 25.330 15.227 10.735 1.00 0.00 C ATOM 643 H70 NEW 0 25.185 13.454 9.499 1.00 0.00 H ATOM 644 H71 NEW 0 27.104 11.110 11.533 1.00 0.00 H ATOM 645 H72 NEW 0 27.818 11.734 10.027 1.00 0.00 H ATOM 646 H73 NEW 0 25.775 16.792 12.180 1.00 0.00 H ATOM 647 H74 NEW 0 26.096 11.296 10.089 1.00 0.00 H ATOM 648 O17 NEW 0 21.487 19.600 42.136 1.00 0.00 O ATOM 649 C67 NEW 0 19.187 17.626 45.309 1.00 0.00 C ATOM 650 C68 NEW 0 20.351 16.773 44.694 1.00 0.00 C ATOM 651 H75 NEW 0 18.361 17.013 45.682 1.00 0.00 H ATOM 652 O18 NEW 0 18.557 18.309 44.097 1.00 0.00 O ATOM 653 C69 NEW 0 21.351 17.743 43.930 1.00 0.00 C ATOM 654 H76 NEW 0 19.923 16.042 43.993 1.00 0.00 H ATOM 655 O19 NEW 0 21.077 16.114 45.723 1.00 0.00 O ATOM 656 C70 NEW 0 20.610 18.589 42.724 1.00 0.00 C ATOM 657 H77 NEW 0 21.617 18.542 44.648 1.00 0.00 H ATOM 658 O20 NEW 0 22.544 17.102 43.499 1.00 0.00 O ATOM 659 C71 NEW 0 19.387 19.320 43.435 1.00 0.00 C ATOM 660 H78 NEW 0 20.236 17.894 41.960 1.00 0.00 H ATOM 661 C72 NEW 0 18.435 20.047 42.518 1.00 0.00 C ATOM 662 H79 NEW 0 19.815 20.014 44.178 1.00 0.00 H ATOM 663 H80 NEW 0 17.578 20.417 43.107 1.00 0.00 H ATOM 664 H81 NEW 0 18.025 19.304 41.812 1.00 0.00 H ATOM 665 O21 NEW 0 19.004 21.104 41.756 1.00 0.00 O ATOM 666 C73 NEW 0 20.369 15.275 46.558 1.00 0.00 C ATOM 667 C74 NEW 0 23.568 17.038 44.426 1.00 0.00 C ATOM 668 C75 NEW 0 19.161 22.317 42.395 1.00 0.00 C ATOM 669 O22 NEW 0 18.904 22.523 43.567 1.00 0.00 O ATOM 670 N7 NEW 0 19.638 23.214 41.482 1.00 0.00 N ATOM 671 H82 NEW 0 20.952 28.285 42.084 1.00 0.00 H ATOM 672 C76 NEW 0 20.680 27.226 41.968 1.00 0.00 C ATOM 673 C77 NEW 0 20.333 26.753 40.711 1.00 0.00 C ATOM 674 C78 NEW 0 20.707 26.399 43.082 1.00 0.00 C ATOM 675 C79 NEW 0 21.105 26.929 44.439 1.00 0.00 C ATOM 676 H83 NEW 0 20.224 27.066 45.088 1.00 0.00 H ATOM 677 H84 NEW 0 21.616 27.899 44.363 1.00 0.00 H ATOM 678 H85 NEW 0 21.794 26.238 44.951 1.00 0.00 H ATOM 679 C80 NEW 0 20.349 25.067 42.916 1.00 0.00 C ATOM 680 C81 NEW 0 19.981 24.547 41.681 1.00 0.00 C ATOM 681 H86 NEW 0 20.395 24.436 43.814 1.00 0.00 H ATOM 682 C82 NEW 0 19.999 25.412 40.593 1.00 0.00 C ATOM 683 C83 NEW 0 20.306 27.669 39.510 1.00 0.00 C ATOM 684 H87 NEW 0 20.649 27.151 38.602 1.00 0.00 H ATOM 685 H88 NEW 0 19.761 22.940 40.517 1.00 0.00 H ATOM 686 H89 NEW 0 20.957 28.543 39.653 1.00 0.00 H ATOM 687 H90 NEW 0 19.751 25.043 39.590 1.00 0.00 H ATOM 688 H91 NEW 0 19.287 28.044 39.318 1.00 0.00 H ATOM 689 O23 NEW 0 19.318 14.732 46.269 1.00 0.00 O ATOM 690 N8 NEW 0 21.058 15.174 47.731 1.00 0.00 N ATOM 691 H92 NEW 0 19.255 12.786 52.088 1.00 0.00 H ATOM 692 C84 NEW 0 19.624 13.279 51.177 1.00 0.00 C ATOM 693 C85 NEW 0 19.775 14.660 51.177 1.00 0.00 C ATOM 694 C86 NEW 0 19.921 12.503 50.064 1.00 0.00 C ATOM 695 C87 NEW 0 19.768 11.001 50.101 1.00 0.00 C ATOM 696 H93 NEW 0 19.003 10.691 50.828 1.00 0.00 H ATOM 697 H94 NEW 0 20.716 10.513 50.385 1.00 0.00 H ATOM 698 H95 NEW 0 19.467 10.603 49.121 1.00 0.00 H ATOM 699 C88 NEW 0 20.382 13.147 48.925 1.00 0.00 C ATOM 700 C89 NEW 0 20.559 14.523 48.885 1.00 0.00 C ATOM 701 H96 NEW 0 20.617 12.527 48.048 1.00 0.00 H ATOM 702 C90 NEW 0 20.251 15.258 50.021 1.00 0.00 C ATOM 703 C91 NEW 0 19.440 15.482 52.399 1.00 0.00 C ATOM 704 H97 NEW 0 18.522 15.120 52.887 1.00 0.00 H ATOM 705 H98 NEW 0 21.907 15.698 47.891 1.00 0.00 H ATOM 706 H99 NEW 0 19.275 16.539 52.143 1.00 0.00 H ATOM 707 0H10 NEW 0 20.373 16.351 50.028 1.00 0.00 H ATOM 708 1H10 NEW 0 20.254 15.443 53.143 1.00 0.00 H ATOM 709 O24 NEW 0 23.498 17.458 45.567 1.00 0.00 O ATOM 710 N9 NEW 0 24.643 16.440 43.834 1.00 0.00 N ATOM 711 2H10 NEW 0 29.365 15.417 45.946 1.00 0.00 H ATOM 712 C92 NEW 0 28.376 15.630 45.513 1.00 0.00 C ATOM 713 C93 NEW 0 28.271 15.837 44.145 1.00 0.00 C ATOM 714 C94 NEW 0 27.273 15.687 46.353 1.00 0.00 C ATOM 715 C95 NEW 0 27.416 15.464 47.840 1.00 0.00 C ATOM 716 3H10 NEW 0 27.418 14.388 48.083 1.00 0.00 H ATOM 717 4H10 NEW 0 26.593 15.933 48.398 1.00 0.00 H ATOM 718 5H10 NEW 0 28.353 15.897 48.223 1.00 0.00 H ATOM 719 C96 NEW 0 26.035 15.950 45.785 1.00 0.00 C ATOM 720 C97 NEW 0 25.877 16.174 44.421 1.00 0.00 C ATOM 721 6H10 NEW 0 25.177 15.963 46.471 1.00 0.00 H ATOM 722 C98 NEW 0 27.014 16.107 43.624 1.00 0.00 C ATOM 723 C99 NEW 0 29.486 15.764 43.250 1.00 0.00 C ATOM 724 7H10 NEW 0 30.407 16.006 43.801 1.00 0.00 H ATOM 725 8H10 NEW 0 24.622 16.190 42.856 1.00 0.00 H ATOM 726 9H10 NEW 0 29.412 16.477 42.415 1.00 0.00 H ATOM 727 0H11 NEW 0 26.944 16.273 42.539 1.00 0.00 H ATOM 728 1H11 NEW 0 29.607 14.755 42.822 1.00 0.00 H ATOM 729 C1 NEW 0 17.598 20.903 32.523 1.00 0.00 C ATOM 730 C2 NEW 0 16.780 19.721 31.912 1.00 0.00 C ATOM 731 C3 NEW 0 17.755 18.719 31.184 1.00 0.00 C ATOM 732 C4 NEW 0 18.619 19.442 29.990 1.00 0.00 C ATOM 733 C5 NEW 0 19.331 20.671 30.706 1.00 0.00 C ATOM 734 C6 NEW 0 20.269 21.514 29.886 1.00 0.00 C ATOM 735 H1 NEW 0 16.950 21.708 32.888 1.00 0.00 H ATOM 736 H2 NEW 0 16.080 20.153 31.175 1.00 0.00 H ATOM 737 H3 NEW 0 18.493 18.418 31.950 1.00 0.00 H ATOM 738 H4 NEW 0 17.930 19.806 29.212 1.00 0.00 H ATOM 739 H5 NEW 0 19.950 20.220 31.500 1.00 0.00 H ATOM 740 H6 NEW 0 20.581 22.366 30.514 1.00 0.00 H ATOM 741 H7 NEW 0 19.770 21.917 28.994 1.00 0.00 H ATOM 742 O1 NEW 0 16.063 19.055 32.947 1.00 0.00 O ATOM 743 O2 NEW 0 17.043 17.580 30.726 1.00 0.00 O ATOM 744 O3 NEW 0 19.641 18.561 29.430 1.00 0.00 O ATOM 745 O4 NEW 0 21.416 20.761 29.501 1.00 0.00 O ATOM 746 C7 NEW 0 19.554 11.430 29.798 1.00 0.00 C ATOM 747 O5 NEW 0 18.307 21.530 31.323 1.00 0.00 O ATOM 748 C8 NEW 0 22.450 21.478 28.933 1.00 0.00 C ATOM 749 O6 NEW 0 22.405 22.662 28.651 1.00 0.00 O ATOM 750 H8 NEW 0 28.335 22.080 27.156 1.00 0.00 H ATOM 751 C9 NEW 0 27.328 21.785 27.487 1.00 0.00 C ATOM 752 C10 NEW 0 27.284 23.857 28.926 1.00 0.00 C ATOM 753 C11 NEW 0 25.389 22.194 28.800 1.00 0.00 C ATOM 754 C12 NEW 0 26.768 20.621 26.977 1.00 0.00 C ATOM 755 C13 NEW 0 24.783 21.041 28.314 1.00 0.00 C ATOM 756 H9 NEW 0 28.598 19.724 26.240 1.00 0.00 H ATOM 757 C14 NEW 0 26.655 22.591 28.394 1.00 0.00 C ATOM 758 H10 NEW 0 24.879 22.830 29.538 1.00 0.00 H ATOM 759 N1 NEW 0 23.510 20.637 28.746 1.00 0.00 N ATOM 760 H11 NEW 0 27.441 20.176 24.967 1.00 0.00 H ATOM 761 H12 NEW 0 26.524 24.620 29.150 1.00 0.00 H ATOM 762 H13 NEW 0 27.980 24.298 28.197 1.00 0.00 H ATOM 763 H14 NEW 0 25.051 19.365 26.972 1.00 0.00 H ATOM 764 H15 NEW 0 27.848 23.663 29.854 1.00 0.00 H ATOM 765 C15 NEW 0 25.492 20.276 27.397 1.00 0.00 C ATOM 766 H16 NEW 0 27.156 18.736 25.972 1.00 0.00 H ATOM 767 H17 NEW 0 23.440 19.649 28.944 1.00 0.00 H ATOM 768 C16 NEW 0 27.528 19.770 25.988 1.00 0.00 C ATOM 769 C17 NEW 0 15.075 18.177 32.543 1.00 0.00 C ATOM 770 O7 NEW 0 14.518 18.211 31.460 1.00 0.00 O ATOM 771 H18 NEW 0 12.200 12.747 33.098 1.00 0.00 H ATOM 772 C18 NEW 0 12.747 13.696 33.195 1.00 0.00 C ATOM 773 C19 NEW 0 10.855 14.808 31.951 1.00 0.00 C ATOM 774 C20 NEW 0 12.894 16.038 32.791 1.00 0.00 C ATOM 775 C21 NEW 0 13.969 13.705 33.851 1.00 0.00 C ATOM 776 C22 NEW 0 14.125 16.096 33.432 1.00 0.00 C ATOM 777 H19 NEW 0 15.541 12.218 33.966 1.00 0.00 H ATOM 778 C23 NEW 0 12.190 14.849 32.656 1.00 0.00 C ATOM 779 H20 NEW 0 12.433 16.942 32.369 1.00 0.00 H ATOM 780 N2 NEW 0 14.858 17.285 33.554 1.00 0.00 N ATOM 781 H21 NEW 0 13.914 11.570 34.247 1.00 0.00 H ATOM 782 H22 NEW 0 10.689 13.838 31.458 1.00 0.00 H ATOM 783 H23 NEW 0 10.786 15.583 31.172 1.00 0.00 H ATOM 784 H24 NEW 0 15.607 14.912 34.479 1.00 0.00 H ATOM 785 H25 NEW 0 10.025 14.971 32.659 1.00 0.00 H ATOM 786 C24 NEW 0 14.636 14.917 33.961 1.00 0.00 C ATOM 787 H26 NEW 0 14.711 12.525 35.511 1.00 0.00 H ATOM 788 H27 NEW 0 15.363 17.350 34.427 1.00 0.00 H ATOM 789 C25 NEW 0 14.563 12.440 34.422 1.00 0.00 C ATOM 790 C26 NEW 0 17.580 16.332 30.945 1.00 0.00 C ATOM 791 O8 NEW 0 18.671 16.114 31.438 1.00 0.00 O ATOM 792 H28 NEW 0 17.200 10.170 30.332 1.00 0.00 H ATOM 793 C27 NEW 0 17.100 11.265 30.365 1.00 0.00 C ATOM 794 C28 NEW 0 14.660 10.931 30.912 1.00 0.00 C ATOM 795 C29 NEW 0 15.752 13.196 30.686 1.00 0.00 C ATOM 796 C30 NEW 0 18.215 12.052 30.116 1.00 0.00 C ATOM 797 C31 NEW 0 16.842 14.028 30.461 1.00 0.00 C ATOM 798 H29 NEW 0 20.046 11.947 28.960 1.00 0.00 H ATOM 799 C32 NEW 0 15.856 11.815 30.649 1.00 0.00 C ATOM 800 H30 NEW 0 14.763 13.623 30.907 1.00 0.00 H ATOM 801 N3 NEW 0 16.674 15.413 30.499 1.00 0.00 N ATOM 802 H31 NEW 0 19.454 10.373 29.513 1.00 0.00 H ATOM 803 H32 NEW 0 14.762 10.398 31.873 1.00 0.00 H ATOM 804 H33 NEW 0 14.541 10.174 30.121 1.00 0.00 H ATOM 805 H34 NEW 0 18.955 14.038 29.960 1.00 0.00 H ATOM 806 H35 NEW 0 13.726 11.509 30.954 1.00 0.00 H ATOM 807 C33 NEW 0 18.063 13.431 30.172 1.00 0.00 C ATOM 808 H36 NEW 0 20.228 11.476 30.669 1.00 0.00 H ATOM 809 H37 NEW 0 15.761 15.701 30.176 1.00 0.00 H ATOM 810 C34 NEW 0 17.598 20.903 15.526 1.00 0.00 C ATOM 811 C35 NEW 0 16.780 19.721 14.914 1.00 0.00 C ATOM 812 H38 NEW 0 16.953 21.713 15.875 1.00 0.00 H ATOM 813 O9 NEW 0 18.307 21.530 14.325 1.00 0.00 O ATOM 814 C36 NEW 0 17.755 18.719 14.187 1.00 0.00 C ATOM 815 H39 NEW 0 16.066 20.145 14.189 1.00 0.00 H ATOM 816 O10 NEW 0 16.091 19.071 15.976 1.00 0.00 O ATOM 817 C37 NEW 0 19.331 20.671 13.709 1.00 0.00 C ATOM 818 C38 NEW 0 18.619 19.442 12.993 1.00 0.00 C ATOM 819 H40 NEW 0 18.503 18.451 14.955 1.00 0.00 H ATOM 820 O11 NEW 0 17.076 17.552 13.751 1.00 0.00 O ATOM 821 C39 NEW 0 15.054 18.230 15.640 1.00 0.00 C ATOM 822 C40 NEW 0 20.246 21.530 12.894 1.00 0.00 C ATOM 823 H41 NEW 0 19.944 20.219 14.505 1.00 0.00 H ATOM 824 H42 NEW 0 17.930 19.801 12.215 1.00 0.00 H ATOM 825 H43 NEW 0 21.105 20.947 12.522 1.00 0.00 H ATOM 826 H44 NEW 0 20.637 22.309 13.572 1.00 0.00 H ATOM 827 O12 NEW 0 19.641 18.561 12.432 1.00 0.00 O ATOM 828 O13 NEW 0 19.596 22.145 11.790 1.00 0.00 O ATOM 829 H45 NEW 0 15.876 15.622 13.184 1.00 0.00 H ATOM 830 N4 NEW 0 16.752 15.367 13.619 1.00 0.00 N ATOM 831 C41 NEW 0 14.749 10.879 13.990 1.00 0.00 C ATOM 832 C42 NEW 0 15.961 11.768 13.842 1.00 0.00 C ATOM 833 H46 NEW 0 13.901 11.421 14.434 1.00 0.00 H ATOM 834 H47 NEW 0 14.419 10.488 13.013 1.00 0.00 H ATOM 835 H48 NEW 0 14.961 10.018 14.642 1.00 0.00 H ATOM 836 C43 NEW 0 20.309 23.147 11.159 1.00 0.00 C ATOM 837 O14 NEW 0 21.423 23.520 11.487 1.00 0.00 O ATOM 838 N5 NEW 0 19.555 23.639 10.132 1.00 0.00 N ATOM 839 H49 NEW 0 20.931 27.850 7.247 1.00 0.00 H ATOM 840 C44 NEW 0 20.639 26.977 7.849 1.00 0.00 C ATOM 841 C45 NEW 0 20.829 28.426 9.909 1.00 0.00 C ATOM 842 C46 NEW 0 20.197 25.986 9.963 1.00 0.00 C ATOM 843 C47 NEW 0 20.380 25.774 7.203 1.00 0.00 C ATOM 844 C48 NEW 0 20.551 27.108 9.227 1.00 0.00 C ATOM 845 C49 NEW 0 20.008 24.685 7.977 1.00 0.00 C ATOM 846 C50 NEW 0 20.523 25.672 5.705 1.00 0.00 C ATOM 847 C51 NEW 0 19.923 24.764 9.361 1.00 0.00 C ATOM 848 H50 NEW 0 21.551 25.911 5.387 1.00 0.00 H ATOM 849 H51 NEW 0 20.133 26.099 11.055 1.00 0.00 H ATOM 850 H52 NEW 0 19.850 26.376 5.192 1.00 0.00 H ATOM 851 H53 NEW 0 21.578 28.312 10.709 1.00 0.00 H ATOM 852 H54 NEW 0 19.913 28.840 10.364 1.00 0.00 H ATOM 853 H55 NEW 0 19.804 23.737 7.459 1.00 0.00 H ATOM 854 H56 NEW 0 21.214 29.177 9.205 1.00 0.00 H ATOM 855 H57 NEW 0 20.297 24.660 5.342 1.00 0.00 H ATOM 856 H58 NEW 0 18.675 23.217 9.873 1.00 0.00 H ATOM 857 O15 NEW 0 14.562 18.144 14.531 1.00 0.00 O ATOM 858 N6 NEW 0 14.694 17.544 16.766 1.00 0.00 N ATOM 859 H59 NEW 0 11.113 13.741 17.455 1.00 0.00 H ATOM 860 C52 NEW 0 11.858 14.536 17.301 1.00 0.00 C ATOM 861 C53 NEW 0 11.892 14.878 19.801 1.00 0.00 C ATOM 862 C54 NEW 0 13.292 16.214 18.180 1.00 0.00 C ATOM 863 C55 NEW 0 12.282 14.818 16.009 1.00 0.00 C ATOM 864 C56 NEW 0 12.352 15.220 18.403 1.00 0.00 C ATOM 865 C57 NEW 0 13.221 15.824 15.837 1.00 0.00 C ATOM 866 C58 NEW 0 11.734 14.046 14.832 1.00 0.00 C ATOM 867 C59 NEW 0 13.742 16.545 16.906 1.00 0.00 C ATOM 868 H60 NEW 0 10.661 14.256 14.683 1.00 0.00 H ATOM 869 H61 NEW 0 13.680 16.744 19.063 1.00 0.00 H ATOM 870 H62 NEW 0 11.846 12.960 14.981 1.00 0.00 H ATOM 871 H63 NEW 0 12.448 14.014 20.201 1.00 0.00 H ATOM 872 H64 NEW 0 10.821 14.626 19.821 1.00 0.00 H ATOM 873 H65 NEW 0 13.544 16.009 14.804 1.00 0.00 H ATOM 874 H66 NEW 0 12.041 15.720 20.494 1.00 0.00 H ATOM 875 H67 NEW 0 12.251 14.303 13.897 1.00 0.00 H ATOM 876 H68 NEW 0 15.139 17.756 17.649 1.00 0.00 H ATOM 877 C60 NEW 0 17.600 16.325 14.095 1.00 0.00 C ATOM 878 O16 NEW 0 18.635 16.149 14.712 1.00 0.00 O ATOM 879 H69 NEW 0 17.351 10.132 13.757 1.00 0.00 H ATOM 880 C61 NEW 0 17.235 11.226 13.733 1.00 0.00 C ATOM 881 C62 NEW 0 19.739 11.406 13.480 1.00 0.00 C ATOM 882 C63 NEW 0 18.193 13.397 13.566 1.00 0.00 C ATOM 883 C64 NEW 0 18.365 12.020 13.598 1.00 0.00 C ATOM 884 C65 NEW 0 15.838 13.148 13.803 1.00 0.00 C ATOM 885 C66 NEW 0 16.938 13.986 13.673 1.00 0.00 C ATOM 886 H70 NEW 0 19.098 14.006 13.435 1.00 0.00 H ATOM 887 H71 NEW 0 19.772 10.398 13.919 1.00 0.00 H ATOM 888 H72 NEW 0 20.494 12.011 14.004 1.00 0.00 H ATOM 889 H73 NEW 0 14.824 13.567 13.883 1.00 0.00 H ATOM 890 H74 NEW 0 20.048 11.321 12.425 1.00 0.00 H ATOM 891 O17 NEW 0 19.641 18.561 46.427 1.00 0.00 O ATOM 892 C67 NEW 0 17.598 20.903 49.521 1.00 0.00 C ATOM 893 C68 NEW 0 16.780 19.721 48.909 1.00 0.00 C ATOM 894 O18 NEW 0 18.307 21.530 48.320 1.00 0.00 O ATOM 895 H75 NEW 0 16.277 11.447 52.309 1.00 0.00 H ATOM 896 C69 NEW 0 17.755 18.719 48.182 1.00 0.00 C ATOM 897 H76 NEW 0 16.084 20.132 48.158 1.00 0.00 H ATOM 898 O19 NEW 0 16.048 19.058 49.937 1.00 0.00 O ATOM 899 C70 NEW 0 18.619 19.442 46.988 1.00 0.00 C ATOM 900 H77 NEW 0 18.542 18.451 48.913 1.00 0.00 H ATOM 901 O20 NEW 0 17.120 17.523 47.749 1.00 0.00 O ATOM 902 C71 NEW 0 19.331 20.671 47.704 1.00 0.00 C ATOM 903 H78 NEW 0 17.936 19.813 46.207 1.00 0.00 H ATOM 904 C72 NEW 0 20.075 21.551 46.745 1.00 0.00 C ATOM 905 H79 NEW 0 20.013 20.246 48.446 1.00 0.00 H ATOM 906 H80 NEW 0 19.338 21.928 46.017 1.00 0.00 H ATOM 907 H81 NEW 0 20.837 21.004 46.165 1.00 0.00 H ATOM 908 O21 NEW 0 20.652 22.687 47.382 1.00 0.00 O ATOM 909 C73 NEW 0 15.074 19.806 50.572 1.00 0.00 C ATOM 910 C74 NEW 0 17.062 16.498 48.675 1.00 0.00 C ATOM 911 C75 NEW 0 21.882 22.493 47.982 1.00 0.00 C ATOM 912 O22 NEW 0 22.647 21.586 47.709 1.00 0.00 O ATOM 913 N7 NEW 0 22.060 23.488 48.903 1.00 0.00 N ATOM 914 H82 NEW 0 25.345 23.882 53.005 1.00 0.00 H ATOM 915 C76 NEW 0 24.677 23.799 52.135 1.00 0.00 C ATOM 916 C77 NEW 0 24.721 22.647 51.363 1.00 0.00 C ATOM 917 C78 NEW 0 23.814 24.845 51.842 1.00 0.00 C ATOM 918 C79 NEW 0 23.768 26.086 52.702 1.00 0.00 C ATOM 919 H83 NEW 0 24.741 26.287 53.173 1.00 0.00 H ATOM 920 H84 NEW 0 23.019 25.986 53.505 1.00 0.00 H ATOM 921 H85 NEW 0 23.506 26.976 52.111 1.00 0.00 H ATOM 922 C80 NEW 0 22.978 24.708 50.745 1.00 0.00 C ATOM 923 C81 NEW 0 22.978 23.575 49.937 1.00 0.00 C ATOM 924 H86 NEW 0 22.283 25.537 50.541 1.00 0.00 H ATOM 925 C82 NEW 0 23.876 22.563 50.265 1.00 0.00 C ATOM 926 C83 NEW 0 25.655 21.512 51.712 1.00 0.00 C ATOM 927 H87 NEW 0 25.228 20.539 51.428 1.00 0.00 H ATOM 928 H88 NEW 0 21.395 24.249 48.948 1.00 0.00 H ATOM 929 H89 NEW 0 25.853 21.474 52.794 1.00 0.00 H ATOM 930 H90 NEW 0 23.932 21.629 49.693 1.00 0.00 H ATOM 931 H91 NEW 0 26.624 21.617 51.196 1.00 0.00 H ATOM 932 O23 NEW 0 14.560 20.811 50.114 1.00 0.00 O ATOM 933 N8 NEW 0 14.801 19.222 51.776 1.00 0.00 N ATOM 934 H92 NEW 0 11.773 21.455 55.491 1.00 0.00 H ATOM 935 C84 NEW 0 12.397 20.987 54.717 1.00 0.00 C ATOM 936 C85 NEW 0 13.729 20.718 55.002 1.00 0.00 C ATOM 937 C86 NEW 0 11.831 20.690 53.484 1.00 0.00 C ATOM 938 C87 NEW 0 10.378 20.991 53.204 1.00 0.00 C ATOM 939 H93 NEW 0 9.744 20.107 53.388 1.00 0.00 H ATOM 940 H94 NEW 0 10.226 21.299 52.158 1.00 0.00 H ATOM 941 H95 NEW 0 10.005 21.807 53.840 1.00 0.00 H ATOM 942 C88 NEW 0 12.639 20.105 52.518 1.00 0.00 C ATOM 943 C89 NEW 0 13.974 19.813 52.760 1.00 0.00 C ATOM 944 H96 NEW 0 12.183 19.879 51.544 1.00 0.00 H ATOM 945 C90 NEW 0 14.492 20.121 54.009 1.00 0.00 C ATOM 946 C91 NEW 0 14.335 21.077 56.338 1.00 0.00 C ATOM 947 H97 NEW 0 13.567 21.196 57.115 1.00 0.00 H ATOM 948 H98 NEW 0 15.301 18.404 52.093 1.00 0.00 H ATOM 949 H99 NEW 0 14.899 22.023 56.278 1.00 0.00 H ATOM 950 0H10 NEW 0 15.547 19.919 54.236 1.00 0.00 H ATOM 951 1H10 NEW 0 15.033 20.300 56.686 1.00 0.00 H ATOM 952 O24 NEW 0 17.374 16.604 49.848 1.00 0.00 O ATOM 953 N9 NEW 0 16.611 15.375 48.043 1.00 0.00 N ATOM 954 2H10 NEW 0 16.293 10.499 50.030 1.00 0.00 H ATOM 955 C92 NEW 0 16.353 11.519 49.623 1.00 0.00 C ATOM 956 C93 NEW 0 16.141 12.596 50.473 1.00 0.00 C ATOM 957 C94 NEW 0 16.643 11.689 48.277 1.00 0.00 C ATOM 958 C95 NEW 0 16.881 10.508 47.367 1.00 0.00 C ATOM 959 3H10 NEW 0 16.180 10.513 46.517 1.00 0.00 H ATOM 960 4H10 NEW 0 16.750 9.553 47.896 1.00 0.00 H ATOM 961 5H10 NEW 0 17.905 10.522 46.959 1.00 0.00 H ATOM 962 C96 NEW 0 16.716 12.986 47.789 1.00 0.00 C ATOM 963 C97 NEW 0 16.515 14.098 48.597 1.00 0.00 C ATOM 964 6H10 NEW 0 16.955 13.109 46.723 1.00 0.00 H ATOM 965 C98 NEW 0 16.218 13.874 49.937 1.00 0.00 C ATOM 966 C99 NEW 0 15.835 12.383 51.936 1.00 0.00 C ATOM 967 7H10 NEW 0 14.747 12.336 52.115 1.00 0.00 H ATOM 968 8H10 NEW 0 16.422 15.379 47.051 1.00 0.00 H ATOM 969 9H10 NEW 0 16.240 13.200 52.554 1.00 0.00 H ATOM 970 0H11 NEW 0 16.027 14.707 50.627 1.00 0.00 H ATOM 971 1H11 NEW 0 16.894 21.695 49.805 1.00 0.00 H ATOM 972 O XXX 0 18.420 20.509 50.535 1.00 0.00 O TER ENDMDL MODEL 2 ATOM 1 C1 R1_ 0 22.130 15.174 22.368 1.00 0.00 C ATOM 2 C2 R1_ 0 20.263 13.850 21.270 1.00 0.00 C ATOM 3 C3 R1_ 0 23.570 15.088 22.913 1.00 0.00 C ATOM 4 O1 R1_ 0 24.094 16.346 22.961 1.00 0.00 O ATOM 5 O2 R1_ 0 24.160 14.090 23.244 1.00 0.00 O ATOM 6 N1 R1_ 0 21.226 15.749 23.451 1.00 0.00 N ATOM 7 H1 R1_ 0 22.123 15.897 21.534 1.00 0.00 H ATOM 8 H2 R1_ 0 21.569 16.657 23.728 1.00 0.00 H ATOM 9 H3 R1_ 0 21.216 15.132 24.252 1.00 0.00 H ATOM 10 C4 R1_ 0 25.473 16.470 23.306 1.00 0.00 C ATOM 11 H4 R1_ 0 26.089 15.930 22.573 1.00 0.00 H ATOM 12 H5 R1_ 0 25.676 16.008 24.286 1.00 0.00 H ATOM 13 C5 R1_ 0 25.851 17.928 23.341 1.00 0.00 C ATOM 14 H6 R1_ 0 25.473 18.493 24.194 1.00 0.00 H ATOM 15 C6 R1_ 0 26.598 18.559 22.429 1.00 0.00 C ATOM 16 H7 R1_ 0 26.830 19.618 22.526 1.00 0.00 H ATOM 17 H8 R1_ 0 27.004 18.043 21.559 1.00 0.00 H ATOM 18 C7 R1_ 0 20.008 14.637 20.149 1.00 0.00 C ATOM 19 C8 R1_ 0 18.783 14.609 19.504 1.00 0.00 C ATOM 20 C9 R1_ 0 17.759 13.774 19.962 1.00 0.00 C ATOM 21 C10 R1_ 0 17.986 13.016 21.116 1.00 0.00 C ATOM 22 C11 R1_ 0 19.222 13.052 21.740 1.00 0.00 C ATOM 23 H9 R1_ 0 20.791 15.304 19.758 1.00 0.00 H ATOM 24 H10 R1_ 0 18.625 15.222 18.604 1.00 0.00 H ATOM 25 H11 R1_ 0 17.194 12.368 21.520 1.00 0.00 H ATOM 26 H12 R1_ 0 19.387 12.422 22.627 1.00 0.00 H ATOM 27 O3 R1_ 0 16.545 13.738 19.313 1.00 0.00 O ATOM 28 C12 R1_ 0 16.456 12.715 18.292 1.00 0.00 C ATOM 29 C13 R1_ 0 17.573 12.822 17.238 1.00 0.00 C ATOM 30 H13 R1_ 0 18.571 12.616 17.654 1.00 0.00 H ATOM 31 H14 R1_ 0 17.592 13.825 16.782 1.00 0.00 H ATOM 32 H15 R1_ 0 17.397 12.086 16.437 1.00 0.00 H ATOM 33 C14 R1_ 0 16.449 11.302 18.902 1.00 0.00 C ATOM 34 H16 R1_ 0 17.418 11.031 19.350 1.00 0.00 H ATOM 35 H17 R1_ 0 16.227 10.553 18.124 1.00 0.00 H ATOM 36 H18 R1_ 0 15.677 11.222 19.683 1.00 0.00 H ATOM 37 C15 R1_ 0 15.116 12.924 17.573 1.00 0.00 C ATOM 38 H19 R1_ 0 14.947 12.159 16.797 1.00 0.00 H ATOM 39 H20 R1_ 0 15.088 13.912 17.088 1.00 0.00 H ATOM 40 H21 R1_ 0 14.280 12.874 18.289 1.00 0.00 H ATOM 41 C16 R1_ 0 21.629 13.796 21.921 1.00 0.00 C ATOM 42 H22 R1_ 0 22.358 13.394 21.196 1.00 0.00 H ATOM 43 H23 R1_ 0 21.629 13.104 22.777 1.00 0.00 H ATOM 44 H24 R1_ 0 20.289 15.845 23.089 1.00 0.00 H TER ENDMDL