P1
* 
  1014 0.000 216.930 *   
  1013 4.173 216.440 *   
  1012 4.770 216.450 *   
  1011 7.812 214.180 21 H 
  1009 8.184 213.950 9 O 
  1010 8.216 213.810 0   
  1008 9.779 213.930 9 O 
  1007 9.810 213.800 0   
  1005 11.516 213.600 0   
  1004 11.555 213.780 9 O 
  1003 12.031 214.180 21 H 
  1002 14.685 216.330 *   
  1001 18.711 216.140 *   
P2
* 
  1028 0.000 216.220 *   
  1027 1.549 215.390 *   
  1026 3.167 214.320 21 H 
  1025 3.503 214.060 9 O 
  1024 3.523 214.160 0   
  1022 4.420 214.130 9 O 
  1023 4.458 213.970 0   
  1020 5.346 214.240 0   
  1021 5.399 214.270 9 O 
  1019 5.982 214.320 21 H 
  1018 6.294 214.750 *   
  1017 7.021 214.750 *   
  1016 8.080 216.370 *   
  1015 9.771 216.220 *   
P3
* 
  1044 0.000 215.590 *   
  1043 2.098 215.590 *   
  1042 2.891 214.890 *   
  1041 3.518 214.680 *   
  1040 4.027 214.430 21 H 
  1038 4.345 214.210 9 O 
  1039 4.362 214.060 0   
  1035 5.106 213.980 0   
  1037 5.127 214.150 9 O 
  1034 5.945 213.980 0   
  1036 5.971 214.050 9 O 
  1033 6.363 214.430 21 H 
  1032 6.671 214.790 *   
  1031 7.309 214.930 *   
  1030 7.344 216.250 *   
  1029 11.027 216.480 *   
P4
* 
  1075 0.000 216.250 *   
  1074 0.761 216.060 *   
  1073 1.888 215.770 *   
  1072 3.068 214.870 *   
  1071 3.602 214.760 21 H 
  1070 4.177 214.590 9 O 
  1069 4.190 214.280 0   
  1068 4.984 214.520 9 O 
  1067 5.001 214.330 0   
  1066 6.161 214.420 0   
  1065 6.161 214.460 9 O 
  1063 6.867 214.760 21 H 
  1064 7.369 215.460 *   
  1062 9.873 216.900 *   
  1061 15.821 217.080 *   
P5
* 
  1076 0.000 216.420 *   
  1077 1.026 216.340 *   
  1078 2.216 215.700 *   
  1079 2.241 215.180 *   
  1080 2.967 214.800 21 H 
  1082 3.286 214.440 0   
  1081 3.321 214.590 9 O 
  1084 4.161 214.340 9 O 
  1083 4.196 214.280 0   
  1086 4.903 214.330 0   
  1085 4.924 214.480 9 O 
  1087 5.401 214.800 21 H 
  1088 5.690 215.150 *   
  1089 7.069 215.560 *   
  1091 13.256 219.440 *   
P6
* 
  1092 0.000 216.570 *   
  1093 2.662 216.190 *   
  1094 4.829 214.860 21 H 
  1096 5.153 214.670 0   
  1095 5.158 214.760 9 O 
  1098 6.151 214.710 9 O 
  1097 6.156 214.590 0   
  1100 7.017 214.610 0   
  1099 7.032 214.760 9 O 
  1101 7.403 214.860 21 H 
  1102 8.919 215.830 *   
  1103 10.823 217.120 *   
  1104 11.777 217.130 *   
P7
* 
  1105 0.000 216.670 *   
  1106 3.244 216.180 *   
  1107 3.257 215.410 *   
  1108 4.296 214.970 21 H 
  1109 4.504 214.740 0   
  1090 4.523 214.810 9 O 
  1110 5.177 214.590 0   
  1111 5.185 214.700 9 O 
  1112 5.989 214.870 9 O 
  1113 6.006 214.720 0   
  1114 6.462 214.970 21 H 
  1115 7.971 216.560 *   
  1116 11.035 217.410 *   
  1117 12.256 217.490 *   
  1118 12.262 217.990 *   
P8
* 
  3 0.000 217.266 *   
  4 7.448 217.082 4   
  5 10.288 216.026 *   
  6 11.950 215.302 *   
  7 12.990 215.070 21 H 
  8 13.334 214.743 9 O 
  9 13.336 214.597 0   
  10 14.158 214.641 0   
  11 14.171 214.753 9 O 
  12 14.514 215.070 21 H 
  13 15.316 215.675 *   
  14 17.097 215.919 *   
  15 20.683 217.347 4   
  16 24.872 217.410 *   
P9
* 
  32 0.000 217.791 *   
  31 3.802 217.535 4   
  30 6.425 216.437 *   
  29 9.207 215.314 *   
  28 9.855 215.080 21 H 
  27 10.072 214.909 9 O 
  26 10.081 214.648 0   
  25 10.755 214.641 0   
  24 10.758 214.743 9 O 
  22 11.439 214.859 0   
  23 11.447 214.923 9 O 
  21 11.616 215.080 21 H 
  20 12.160 215.590 *   
  19 14.559 216.427 *   
  18 17.503 217.576 4   
  17 21.748 217.695 *   
P10
* 
  33 0.000 217.768 *   
  34 6.272 217.718 4   
  35 9.576 216.246 *   
  36 11.870 215.248 *   
  37 12.249 215.090 21 H 
  38 12.396 214.982 9 O 
  39 12.398 214.768 0   
  41 12.826 214.944 9 O 
  40 12.827 214.842 0   
  42 13.284 214.969 9 O 
  43 13.285 214.758 0   
  44 13.424 215.090 21 H 
  45 14.129 215.504 *   
  46 17.108 216.419 *   
  47 20.346 217.802 4   
  48 25.064 217.921 *   
P11
* 
  62 0.000 217.695 *   
  61 5.140 217.578 4   
  60 7.971 216.433 *   
  59 10.707 215.460 *   
  58 11.387 215.170 21 H 
  57 11.727 215.000 9 O 
  56 11.735 214.902 0   
  55 12.271 214.788 0   
  54 12.276 215.080 9 O 
  53 12.535 215.170 21 H 
  52 13.043 215.353 *   
  51 15.410 216.121 *   
  50 19.244 217.672 4   
  49 24.823 218.136 *   
P12
* 
  63 0.000 217.752 *   
  64 6.920 217.441 4   
  65 9.995 216.195 *   
  66 11.288 215.586 *   
  67 12.167 215.230 21 H 
  69 12.351 214.984 0   
  68 12.356 215.138 9 O 
  70 13.013 214.923 0   
  71 13.019 215.117 9 O 
  72 13.454 215.230 21 H 
  73 14.512 215.386 *   
  74 15.966 216.044 *   
  75 21.109 217.780 4   
  76 26.694 218.143 *   
P13
* 
  91 0.000 217.829 *   
  90 8.646 217.607 4   
  89 13.312 215.950 *   
  88 15.120 215.522 *   
  87 15.761 215.280 21 H 
  85 15.955 215.004 0   
  86 15.973 215.182 9 O 
  83 16.825 215.181 9 O 
  84 16.832 215.029 0   
  82 17.023 215.280 21 H 
  81 17.518 215.499 *   
  80 18.369 216.183 *   
  79 20.254 216.658 *   
  78 22.525 217.781 4   
  77 27.175 218.289 *   
P14
* 
  152 0.000 218.065 *   
  151 6.770 217.882 4   
  150 10.407 217.050 *   
  149 11.194 216.690 21 H 
  148 11.811 216.064 0   
  147 11.817 216.382 9 O 
  146 13.018 216.343 9 O 
  145 13.024 215.752 0   
  144 14.571 216.343 0   
  143 14.582 216.449 9 O 
  142 14.924 216.690 21 H 
  141 15.562 216.971 *   
  140 17.904 217.654 4   
  139 24.189 217.886 *   
P15
* 
  153 0.000 217.959 *   
  154 8.250 217.656 4   
  155 9.631 217.096 *   
  156 10.447 216.929 *   
  157 10.830 216.700 21 H 
  158 11.350 216.586 9 O 
  159 11.356 215.609 0   
  161 12.668 216.497 9 O 
  160 12.685 215.644 0   
  162 13.910 216.373 9 O 
  163 13.918 215.736 0   
  164 14.695 216.700 21 H 
  165 15.258 217.028 *   
  166 18.129 217.814 4   
  167 22.289 217.920 *   
P16
* 
  181 0.000 218.087 *   
  180 6.020 217.942 4   
  179 8.263 217.195 *   
  178 9.048 216.710 21 H 
  177 9.737 216.016 0   
  176 9.742 216.456 9 O 
  174 10.805 215.993 0   
  175 10.813 216.445 9 O 
  173 11.841 216.183 0   
  172 11.850 216.468 9 O 
  171 12.528 216.710 21 H 
  170 13.157 217.100 *   
  169 15.434 217.798 4   
  168 21.492 218.064 *   
P17
* 
  182 0.000 218.172 *   
  183 7.437 218.279 4   
  184 9.888 217.581 *   
  185 11.286 217.093 *   
  186 11.824 216.720 21 H 
  188 12.316 216.027 0   
  187 12.324 216.394 9 O 
  190 13.371 216.425 9 O 
  189 13.386 216.040 0   
  191 14.312 216.424 9 O 
  192 14.327 216.120 0   
  193 14.989 216.720 21 H 
  194 15.824 217.293 *   
  195 18.502 218.142 4   
  196 23.704 218.174 *   
P18
* 
  210 0.000 218.557 *   
  209 5.586 218.284 4   
  208 8.775 217.310 *   
  207 9.896 216.730 21 H 
  206 10.583 216.247 0   
  205 10.590 216.429 9 O 
  203 11.314 216.126 0   
  204 11.324 216.436 9 O 
  202 12.241 216.334 0   
  201 12.246 216.539 9 O 
  200 12.737 216.730 21 H 
  199 13.404 217.294 *   
  198 16.893 218.329 4   
  197 21.637 218.423 *   
P19
* 
  211 0.000 218.528 *   
  212 4.037 218.409 4   
  213 6.513 217.607 *   
  214 8.769 217.006 *   
  215 9.339 216.740 21 H 
  217 9.710 216.084 0   
  216 9.718 216.472 9 O 
  219 10.535 216.577 9 O 
  218 10.538 216.268 0   
  220 11.139 216.740 21 H 
  221 12.114 217.446 *   
  223 15.996 218.375 4   
  222 20.562 218.603 *   
P20
* 
  238 0.000 219.186 *   
  237 4.044 218.930 4   
  236 9.263 217.125 *   
  235 10.501 216.897 *   
  234 10.994 216.780 21 H 
  232 11.127 216.652 9 O 
  233 11.132 216.495 0   
  230 11.832 216.396 0   
  231 11.836 216.508 9 O 
  229 12.399 216.444 0   
  228 12.402 216.641 9 O 
  227 12.677 216.780 21 H 
  226 13.273 217.340 *   
  225 16.432 218.627 4   
  224 22.510 218.900 *   
