267 lines
11 KiB
Plaintext
267 lines
11 KiB
Plaintext
info: xyz2data 18:31, Mon 27-02-2017
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256 atoms
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2 atom types
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0.00000000 17.04000000 xlo xhi
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0.00000000 19.67609717 ylo yhi
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-20.00000000 40.00000000 zlo zhi
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Atoms
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1 1 0.00000000 0.00000000 0.00000000
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2 1 1.42000000 0.00000000 0.00000000
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3 2 1.42000000 0.00000000 3.30000000
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4 2 2.84000000 0.00000000 3.30000000
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5 1 2.13000000 1.22975607 0.00000000
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6 1 3.55000000 1.22975607 0.00000000
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7 2 3.55000000 1.22975607 3.30000000
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8 2 4.97000000 1.22975607 3.30000000
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9 1 0.00000000 2.45951215 0.00000000
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10 1 1.42000000 2.45951215 0.00000000
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11 2 1.42000000 2.45951215 3.30000000
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12 2 2.84000000 2.45951215 3.30000000
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13 1 2.13000000 3.68926822 0.00000000
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14 1 3.55000000 3.68926822 0.00000000
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15 2 3.55000000 3.68926822 3.30000000
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16 2 4.97000000 3.68926822 3.30000000
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17 1 0.00000000 4.91902429 0.00000000
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18 1 1.42000000 4.91902429 0.00000000
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19 2 1.42000000 4.91902429 3.30000000
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20 2 2.84000000 4.91902429 3.30000000
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21 1 2.13000000 6.14878037 0.00000000
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22 1 3.55000000 6.14878037 0.00000000
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23 2 3.55000000 6.14878037 3.30000000
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24 2 4.97000000 6.14878037 3.30000000
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25 1 0.00000000 7.37853644 0.00000000
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26 1 1.42000000 7.37853644 0.00000000
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27 2 1.42000000 7.37853644 3.30000000
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28 2 2.84000000 7.37853644 3.30000000
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29 1 2.13000000 8.60829251 0.00000000
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30 1 3.55000000 8.60829251 0.00000000
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31 2 3.55000000 8.60829251 3.30000000
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32 2 4.97000000 8.60829251 3.30000000
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33 1 0.00000000 9.83804859 0.00000000
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34 1 1.42000000 9.83804859 0.00000000
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35 2 1.42000000 9.83804859 3.30000000
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36 2 2.84000000 9.83804859 3.30000000
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37 1 2.13000000 11.06780466 0.00000000
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38 1 3.55000000 11.06780466 0.00000000
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39 2 3.55000000 11.06780466 3.30000000
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40 2 4.97000000 11.06780466 3.30000000
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41 1 0.00000000 12.29756073 0.00000000
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42 1 1.42000000 12.29756073 0.00000000
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43 2 1.42000000 12.29756073 3.30000000
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44 2 2.84000000 12.29756073 3.30000000
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45 1 2.13000000 13.52731681 0.00000000
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46 1 3.55000000 13.52731681 0.00000000
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47 2 3.55000000 13.52731681 3.30000000
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48 2 4.97000000 13.52731681 3.30000000
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49 1 0.00000000 14.75707288 0.00000000
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50 1 1.42000000 14.75707288 0.00000000
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51 2 1.42000000 14.75707288 3.30000000
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52 2 2.84000000 14.75707288 3.30000000
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53 1 2.13000000 15.98682895 0.00000000
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54 1 3.55000000 15.98682895 0.00000000
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55 2 3.55000000 15.98682895 3.30000000
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56 2 4.97000000 15.98682895 3.30000000
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57 1 0.00000000 17.21658503 0.00000000
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58 1 1.42000000 17.21658503 0.00000000
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59 2 1.42000000 17.21658503 3.30000000
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60 2 2.84000000 17.21658503 3.30000000
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61 1 2.13000000 18.44634110 0.00000000
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62 1 3.55000000 18.44634110 0.00000000
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63 2 3.55000000 18.44634110 3.30000000
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64 2 4.97000000 18.44634110 3.30000000
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65 1 4.26000000 0.00000000 0.00000000
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66 1 5.68000000 0.00000000 0.00000000
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67 2 5.68000000 0.00000000 3.30000000
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68 2 7.10000000 0.00000000 3.30000000
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69 1 6.39000000 1.22975607 0.00000000
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70 1 7.81000000 1.22975607 0.00000000
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71 2 7.81000000 1.22975607 3.30000000
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72 2 9.23000000 1.22975607 3.30000000
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73 1 4.26000000 2.45951215 0.00000000
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74 1 5.68000000 2.45951215 0.00000000
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75 2 5.68000000 2.45951215 3.30000000
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76 2 7.10000000 2.45951215 3.30000000
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77 1 6.39000000 3.68926822 0.00000000
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78 1 7.81000000 3.68926822 0.00000000
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79 2 7.81000000 3.68926822 3.30000000
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80 2 9.23000000 3.68926822 3.30000000
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81 1 4.26000000 4.91902429 0.00000000
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82 1 5.68000000 4.91902429 0.00000000
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83 2 5.68000000 4.91902429 3.30000000
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84 2 7.10000000 4.91902429 3.30000000
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85 1 6.39000000 6.14878037 0.00000000
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86 1 7.81000000 6.14878037 0.00000000
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87 2 7.81000000 6.14878037 3.30000000
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88 2 9.23000000 6.14878037 3.30000000
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89 1 4.26000000 7.37853644 0.00000000
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90 1 5.68000000 7.37853644 0.00000000
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91 2 5.68000000 7.37853644 3.30000000
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92 2 7.10000000 7.37853644 3.30000000
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93 1 6.39000000 8.60829251 0.00000000
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94 1 7.81000000 8.60829251 0.00000000
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95 2 7.81000000 8.60829251 3.30000000
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96 2 9.23000000 8.60829251 3.30000000
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97 1 4.26000000 9.83804859 0.00000000
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98 1 5.68000000 9.83804859 0.00000000
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99 2 5.68000000 9.83804859 3.30000000
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100 2 7.10000000 9.83804859 3.30000000
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101 1 6.39000000 11.06780466 0.00000000
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102 1 7.81000000 11.06780466 0.00000000
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103 2 7.81000000 11.06780466 3.30000000
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104 2 9.23000000 11.06780466 3.30000000
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105 1 4.26000000 12.29756073 0.00000000
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106 1 5.68000000 12.29756073 0.00000000
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107 2 5.68000000 12.29756073 3.30000000
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108 2 7.10000000 12.29756073 3.30000000
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109 1 6.39000000 13.52731681 0.00000000
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110 1 7.81000000 13.52731681 0.00000000
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111 2 7.81000000 13.52731681 3.30000000
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112 2 9.23000000 13.52731681 3.30000000
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113 1 4.26000000 14.75707288 0.00000000
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114 1 5.68000000 14.75707288 0.00000000
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115 2 5.68000000 14.75707288 3.30000000
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116 2 7.10000000 14.75707288 3.30000000
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117 1 6.39000000 15.98682895 0.00000000
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118 1 7.81000000 15.98682895 0.00000000
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119 2 7.81000000 15.98682895 3.30000000
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120 2 9.23000000 15.98682895 3.30000000
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121 1 4.26000000 17.21658503 0.00000000
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122 1 5.68000000 17.21658503 0.00000000
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123 2 5.68000000 17.21658503 3.30000000
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124 2 7.10000000 17.21658503 3.30000000
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125 1 6.39000000 18.44634110 0.00000000
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126 1 7.81000000 18.44634110 0.00000000
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127 2 7.81000000 18.44634110 3.30000000
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128 2 9.23000000 18.44634110 3.30000000
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129 1 8.52000000 0.00000000 0.00000000
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130 1 9.94000000 0.00000000 0.00000000
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131 2 9.94000000 0.00000000 3.30000000
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132 2 11.36000000 0.00000000 3.30000000
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133 1 10.65000000 1.22975607 0.00000000
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134 1 12.07000000 1.22975607 0.00000000
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135 2 12.07000000 1.22975607 3.30000000
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136 2 13.49000000 1.22975607 3.30000000
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137 1 8.52000000 2.45951215 0.00000000
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138 1 9.94000000 2.45951215 0.00000000
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139 2 9.94000000 2.45951215 3.30000000
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140 2 11.36000000 2.45951215 3.30000000
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141 1 10.65000000 3.68926822 0.00000000
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142 1 12.07000000 3.68926822 0.00000000
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143 2 12.07000000 3.68926822 3.30000000
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144 2 13.49000000 3.68926822 3.30000000
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145 1 8.52000000 4.91902429 0.00000000
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146 1 9.94000000 4.91902429 0.00000000
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147 2 9.94000000 4.91902429 3.30000000
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148 2 11.36000000 4.91902429 3.30000000
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149 1 10.65000000 6.14878037 0.00000000
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150 1 12.07000000 6.14878037 0.00000000
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151 2 12.07000000 6.14878037 3.30000000
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152 2 13.49000000 6.14878037 3.30000000
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153 1 8.52000000 7.37853644 0.00000000
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154 1 9.94000000 7.37853644 0.00000000
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155 2 9.94000000 7.37853644 3.30000000
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156 2 11.36000000 7.37853644 3.30000000
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157 1 10.65000000 8.60829251 0.00000000
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158 1 12.07000000 8.60829251 0.00000000
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159 2 12.07000000 8.60829251 3.30000000
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160 2 13.49000000 8.60829251 3.30000000
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161 1 8.52000000 9.83804859 0.00000000
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162 1 9.94000000 9.83804859 0.00000000
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163 2 9.94000000 9.83804859 3.30000000
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164 2 11.36000000 9.83804859 3.30000000
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165 1 10.65000000 11.06780466 0.00000000
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166 1 12.07000000 11.06780466 0.00000000
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167 2 12.07000000 11.06780466 3.30000000
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168 2 13.49000000 11.06780466 3.30000000
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169 1 8.52000000 12.29756073 0.00000000
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170 1 9.94000000 12.29756073 0.00000000
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171 2 9.94000000 12.29756073 3.30000000
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172 2 11.36000000 12.29756073 3.30000000
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173 1 10.65000000 13.52731681 0.00000000
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174 1 12.07000000 13.52731681 0.00000000
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175 2 12.07000000 13.52731681 3.30000000
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176 2 13.49000000 13.52731681 3.30000000
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177 1 8.52000000 14.75707288 0.00000000
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178 1 9.94000000 14.75707288 0.00000000
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179 2 9.94000000 14.75707288 3.30000000
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180 2 11.36000000 14.75707288 3.30000000
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181 1 10.65000000 15.98682895 0.00000000
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182 1 12.07000000 15.98682895 0.00000000
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183 2 12.07000000 15.98682895 3.30000000
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184 2 13.49000000 15.98682895 3.30000000
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185 1 8.52000000 17.21658503 0.00000000
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186 1 9.94000000 17.21658503 0.00000000
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187 2 9.94000000 17.21658503 3.30000000
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188 2 11.36000000 17.21658503 3.30000000
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189 1 10.65000000 18.44634110 0.00000000
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190 1 12.07000000 18.44634110 0.00000000
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191 2 12.07000000 18.44634110 3.30000000
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192 2 13.49000000 18.44634110 3.30000000
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193 1 12.78000000 0.00000000 0.00000000
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194 1 14.20000000 0.00000000 0.00000000
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195 2 14.20000000 0.00000000 3.30000000
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196 2 15.62000000 0.00000000 3.30000000
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197 1 14.91000000 1.22975607 0.00000000
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198 1 16.33000000 1.22975607 0.00000000
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199 2 16.33000000 1.22975607 3.30000000
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200 2 17.75000000 1.22975607 3.30000000
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201 1 12.78000000 2.45951215 0.00000000
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202 1 14.20000000 2.45951215 0.00000000
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203 2 14.20000000 2.45951215 3.30000000
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204 2 15.62000000 2.45951215 3.30000000
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205 1 14.91000000 3.68926822 0.00000000
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206 1 16.33000000 3.68926822 0.00000000
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207 2 16.33000000 3.68926822 3.30000000
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208 2 17.75000000 3.68926822 3.30000000
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209 1 12.78000000 4.91902429 0.00000000
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210 1 14.20000000 4.91902429 0.00000000
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211 2 14.20000000 4.91902429 3.30000000
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212 2 15.62000000 4.91902429 3.30000000
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213 1 14.91000000 6.14878037 0.00000000
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214 1 16.33000000 6.14878037 0.00000000
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215 2 16.33000000 6.14878037 3.30000000
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216 2 17.75000000 6.14878037 3.30000000
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217 1 12.78000000 7.37853644 0.00000000
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218 1 14.20000000 7.37853644 0.00000000
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219 2 14.20000000 7.37853644 3.30000000
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220 2 15.62000000 7.37853644 3.30000000
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221 1 14.91000000 8.60829251 0.00000000
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222 1 16.33000000 8.60829251 0.00000000
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223 2 16.33000000 8.60829251 3.30000000
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224 2 17.75000000 8.60829251 3.30000000
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225 1 12.78000000 9.83804859 0.00000000
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226 1 14.20000000 9.83804859 0.00000000
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227 2 14.20000000 9.83804859 3.30000000
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228 2 15.62000000 9.83804859 3.30000000
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229 1 14.91000000 11.06780466 0.00000000
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230 1 16.33000000 11.06780466 0.00000000
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231 2 16.33000000 11.06780466 3.30000000
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232 2 17.75000000 11.06780466 3.30000000
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233 1 12.78000000 12.29756073 0.00000000
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234 1 14.20000000 12.29756073 0.00000000
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235 2 14.20000000 12.29756073 3.30000000
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236 2 15.62000000 12.29756073 3.30000000
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237 1 14.91000000 13.52731681 0.00000000
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238 1 16.33000000 13.52731681 0.00000000
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239 2 16.33000000 13.52731681 3.30000000
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240 2 17.75000000 13.52731681 3.30000000
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241 1 12.78000000 14.75707288 0.00000000
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242 1 14.20000000 14.75707288 0.00000000
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243 2 14.20000000 14.75707288 3.30000000
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244 2 15.62000000 14.75707288 3.30000000
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245 1 14.91000000 15.98682895 0.00000000
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246 1 16.33000000 15.98682895 0.00000000
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247 2 16.33000000 15.98682895 3.30000000
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248 2 17.75000000 15.98682895 3.30000000
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249 1 12.78000000 17.21658503 0.00000000
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250 1 14.20000000 17.21658503 0.00000000
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251 2 14.20000000 17.21658503 3.30000000
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252 2 15.62000000 17.21658503 3.30000000
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253 1 14.91000000 18.44634110 0.00000000
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254 1 16.33000000 18.44634110 0.00000000
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255 2 16.33000000 18.44634110 3.30000000
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256 2 17.75000000 18.44634110 3.30000000
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