1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114
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# MSMS solvent excluded surface vertices for /tmp/tmpcQE9uf/xxxx.xyzr
#vertex #sphere density probe_r
111 10 1.00 1.40
28.496 29.535 15.041 -0.552 -0.083 -0.830 0 8 2
29.029 29.097 14.270 -0.932 0.230 -0.279 0 2 2
28.733 28.531 14.270 -0.721 0.634 -0.279 0 1 2
29.163 29.412 14.202 -0.858 0.404 -0.317 0 2 2
28.601 29.781 14.988 -0.456 0.141 -0.879 0 8 2
28.941 29.758 14.734 -0.699 0.157 -0.698 0 5 2
28.720 28.549 16.428 -0.822 -0.515 0.244 0 5 2
28.428 28.835 16.313 -0.614 -0.719 0.326 0 8 2
28.646 27.637 15.896 -0.769 0.137 0.624 0 1 2
29.480 28.162 16.988 -0.399 -0.730 0.554 0 5 2
29.407 27.249 16.455 -0.347 -0.078 0.935 0 1 2
29.762 28.160 17.305 -0.601 -0.729 0.328 0 9 2
30.975 28.039 17.174 0.502 -0.839 0.209 0 9 2
30.957 27.094 16.288 0.515 -0.164 0.841 0 1 2
31.909 27.584 16.288 -0.165 -0.514 0.841 0 3 2
31.941 27.523 16.255 -0.148 -0.548 0.823 0 3 2
30.989 27.033 16.255 0.532 -0.198 0.823 0 1 2
32.219 27.063 16.130 -0.346 -0.220 0.912 0 4 2
32.218 26.476 15.829 -0.347 -0.611 0.712 0 4 2
30.988 26.395 15.928 0.532 -0.553 0.641 0 1 2
31.086 26.090 15.676 0.462 -0.335 0.821 0 6 2
31.078 26.085 13.868 0.456 -0.339 -0.823 0 6 2
30.979 26.389 13.615 0.527 -0.556 -0.643 0 1 2
32.209 26.471 13.703 -0.352 -0.615 -0.706 0 4 2
32.208 27.085 13.393 -0.354 -0.205 -0.913 0 4 2
30.977 27.057 13.278 0.525 -0.185 -0.830 0 1 2
31.929 27.547 13.278 -0.155 -0.535 -0.830 0 3 2
31.716 27.960 13.131 -0.273 -0.305 -0.912 0 3 2
30.764 27.470 13.131 0.407 0.045 -0.912 0 1 2
31.059 28.037 13.131 0.196 -0.360 -0.912 0 2 2
30.543 28.306 13.021 -0.091 -0.210 -0.973 0 2 2
30.248 27.740 13.021 0.120 0.194 -0.973 0 1 2
30.429 28.690 12.883 -0.009 -0.484 -0.875 0 7 2
29.396 29.230 13.494 -0.948 0.006 -0.319 0 7 2
28.928 28.430 13.802 -0.613 0.578 -0.539 0 1 2
29.223 28.996 13.802 -0.824 0.173 -0.539 0 2 2
29.454 29.704 13.753 -0.895 0.438 -0.083 0 7 2
29.297 29.603 14.134 -0.783 0.510 -0.355 0 2 2
29.075 29.949 14.666 -0.624 0.263 -0.736 0 5 2
30.525 30.319 13.801 0.079 0.996 -0.040 0 7 2
30.445 30.734 14.727 0.136 0.699 -0.702 0 5 2
30.667 30.388 14.194 -0.022 0.947 -0.322 0 2 2
30.971 30.404 14.311 0.147 0.955 -0.257 0 2 2
30.749 30.750 14.843 0.305 0.708 -0.637 0 5 2
30.884 31.035 15.125 0.208 0.504 -0.838 0 10 2
31.679 30.601 16.431 0.931 0.109 0.349 0 10 2
31.764 30.194 16.513 0.870 0.399 0.290 0 5 2
32.643 29.772 15.980 0.242 0.701 0.671 0 3 2
32.506 28.802 16.524 0.166 0.162 0.973 0 3 2
31.627 29.224 17.056 0.793 -0.140 0.592 0 5 2
31.442 28.991 17.358 0.926 0.027 0.377 0 9 2
31.162 30.983 15.210 0.461 0.457 -0.761 0 10 2
31.983 30.261 14.420 -0.125 0.973 -0.196 0 3 2
31.326 30.337 14.420 0.344 0.918 -0.196 0 2 2
31.300 30.111 13.851 0.330 0.793 -0.512 0 2 2
31.956 30.035 13.851 -0.139 0.847 -0.512 0 3 2
31.021 30.102 13.532 0.529 0.799 -0.285 0 7 2
30.884 28.921 12.885 0.404 -0.274 -0.872 0 7 2
31.781 28.525 13.024 -0.237 0.008 -0.972 0 3 2
31.125 28.601 13.024 0.232 -0.046 -0.972 0 2 2
28.689 30.558 15.542 -0.376 0.847 -0.375 -5 8 2
29.053 30.752 15.442 -0.636 0.709 -0.304 -5 5 2
28.645 30.468 16.495 -0.416 0.765 0.492 -5 8 2
28.997 30.636 16.661 -0.668 0.645 0.373 -5 5 2
28.514 29.601 16.883 -0.535 -0.023 0.844 -5 8 2
28.830 29.528 17.157 -0.761 0.029 0.648 -5 5 2
31.029 26.249 15.791 0.502 -0.449 0.739 -16 6 2
29.866 25.737 15.467 -0.091 -0.918 0.386 -16 1 2
30.040 25.669 15.385 -0.216 -0.869 0.444 16 6 2
30.208 25.575 15.316 -0.335 -0.802 0.494 -16 6 2
29.861 25.734 14.088 -0.095 -0.920 -0.381 -16 1 2
30.036 25.666 14.169 -0.219 -0.872 -0.438 16 6 2
30.204 25.573 14.237 -0.339 -0.805 -0.487 -16 6 2
31.021 26.244 13.753 0.496 -0.452 -0.741 -16 6 2
29.771 31.156 15.505 -0.238 0.933 -0.269 -34 5 2
30.120 31.353 15.643 -0.487 0.793 -0.367 -34 10 2
29.820 31.063 16.749 -0.211 0.882 0.422 -34 5 2
30.158 31.281 16.616 -0.452 0.727 0.517 -34 10 2
30.843 30.570 17.266 0.358 0.608 0.709 -34 5 2
30.958 30.894 17.020 0.275 0.376 0.885 -34 10 2
30.667 29.937 17.666 0.260 0.256 0.931 -37 5 2
30.690 29.549 17.835 0.243 0.533 0.810 -37 9 2
29.464 29.342 17.628 -0.408 -0.075 0.910 -37 5 2
29.749 29.083 17.805 -0.612 0.110 0.783 -37 9 2
33.070 28.089 13.250 0.479 -0.234 -0.846 -49 3 2
33.257 27.584 13.368 0.346 0.127 -0.930 -49 4 2
33.889 28.470 14.134 0.935 -0.022 -0.355 -49 3 2
34.010 27.934 14.180 0.848 0.361 -0.388 -49 4 2
33.894 28.460 15.398 0.937 -0.028 0.347 -49 3 2
34.015 27.925 15.342 0.851 0.355 0.387 -49 4 2
33.082 28.065 16.282 0.486 -0.247 0.838 -49 3 2
33.268 27.562 16.155 0.353 0.113 0.929 -49 4 2
32.453 25.920 14.767 -0.190 -0.982 0.003 -50 4 2
31.286 25.617 14.772 0.644 -0.765 -0.001 -50 6 2
28.003 29.626 15.954 -1.000 -0.000 -0.000 51 8 1
29.475 26.861 13.145 -0.309 -0.294 -0.905 54 1 1
28.575 26.861 15.689 -0.809 -0.294 0.509 54 1 1
28.575 26.332 14.773 -0.809 -0.588 -0.000 54 1 1
28.575 26.861 13.857 -0.809 -0.294 -0.509 54 1 1
28.231 27.390 14.773 -1.000 -0.000 -0.000 54 1 1
33.663 29.568 14.773 0.809 0.588 0.000 56 3 1
33.663 29.039 15.689 0.809 0.294 0.509 56 3 1
33.663 29.039 13.857 0.809 0.294 -0.509 56 3 1
32.763 29.039 13.145 0.309 0.294 -0.905 56 3 1
32.763 29.895 13.767 0.309 0.769 -0.559 56 3 1
34.238 27.393 14.762 1.000 0.000 0.000 57 4 1
33.799 26.863 15.681 0.707 -0.354 0.612 57 4 1
33.799 26.332 14.762 0.707 -0.707 -0.000 57 4 1
33.799 26.863 13.843 0.707 -0.354 -0.612 57 4 1
29.889 29.517 12.939 -0.500 0.268 -0.824 60 7 1
31.205 31.434 16.047 0.500 0.866 0.000 62 10 1
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