2010-08-20 08:22:52 +08:00
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Comment line
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1500 atoms
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0 bonds
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0 angles
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0 dihedrals
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0 impropers
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2 atom types
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0 bond types
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0 angle types
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0 dihedral types
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0 improper types
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0.0000000E+00 25.3573125000000 xlo xhi
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0.0000000E+00 25.3573125000000 ylo yhi
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0.0000000E+00 26.0602875000000 zlo zhi
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2010-08-31 04:20:28 +08:00
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0.0000000 0.0000000 0.0000000 xy xz yz
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2010-08-20 08:22:52 +08:00
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Atoms
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2010-08-31 04:20:28 +08:00
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1 1 3.40000000 2.53573 2.53573 2.60603
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2 1 3.40000000 2.53573 0.00000 0.00000
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3 1 3.40000000 0.00000 2.53573 0.00000
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4 1 3.40000000 0.00000 0.00000 2.60603
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5 2 -1.70000000 1.26787 1.26787 1.58968
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6 2 -1.70000000 1.26787 1.26787 4.19571
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7 2 -1.70000000 1.26787 3.80360 1.01635
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8 2 -1.70000000 1.26787 3.80360 3.62238
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9 2 -1.70000000 3.80360 1.26787 1.01635
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10 2 -1.70000000 3.80360 1.26787 3.62238
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11 2 -1.70000000 3.80360 3.80360 1.58968
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12 2 -1.70000000 3.80360 3.80360 4.19571
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13 1 3.40000000 2.53573 2.53573 7.81809
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14 1 3.40000000 2.53573 0.00000 5.21206
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15 1 3.40000000 0.00000 2.53573 5.21206
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16 1 3.40000000 0.00000 0.00000 7.81809
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17 2 -1.70000000 1.26787 1.26787 6.80174
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18 2 -1.70000000 1.26787 1.26787 9.40776
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19 2 -1.70000000 1.26787 3.80360 6.22841
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20 2 -1.70000000 1.26787 3.80360 8.83444
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21 2 -1.70000000 3.80360 1.26787 6.22841
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22 2 -1.70000000 3.80360 1.26787 8.83444
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23 2 -1.70000000 3.80360 3.80360 6.80174
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24 2 -1.70000000 3.80360 3.80360 9.40776
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25 1 3.40000000 2.53573 2.53573 13.03014
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26 1 3.40000000 2.53573 0.00000 10.42412
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27 1 3.40000000 0.00000 2.53573 10.42412
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28 1 3.40000000 0.00000 0.00000 13.03014
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29 2 -1.70000000 1.26787 1.26787 12.01379
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30 2 -1.70000000 1.26787 1.26787 14.61982
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31 2 -1.70000000 1.26787 3.80360 11.44047
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32 2 -1.70000000 1.26787 3.80360 14.04649
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33 2 -1.70000000 3.80360 1.26787 11.44047
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34 2 -1.70000000 3.80360 1.26787 14.04649
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35 2 -1.70000000 3.80360 3.80360 12.01379
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36 2 -1.70000000 3.80360 3.80360 14.61982
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37 1 3.40000000 2.53573 2.53573 18.24220
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38 1 3.40000000 2.53573 0.00000 15.63617
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39 1 3.40000000 0.00000 2.53573 15.63617
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40 1 3.40000000 0.00000 0.00000 18.24220
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41 2 -1.70000000 1.26787 1.26787 17.22585
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42 2 -1.70000000 1.26787 1.26787 19.83188
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43 2 -1.70000000 1.26787 3.80360 16.65252
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44 2 -1.70000000 1.26787 3.80360 19.25855
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45 2 -1.70000000 3.80360 1.26787 16.65252
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46 2 -1.70000000 3.80360 1.26787 19.25855
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47 2 -1.70000000 3.80360 3.80360 17.22585
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48 2 -1.70000000 3.80360 3.80360 19.83188
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49 1 3.40000000 2.53573 2.53573 23.45426
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50 1 3.40000000 2.53573 0.00000 20.84823
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51 1 3.40000000 0.00000 2.53573 20.84823
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52 1 3.40000000 0.00000 0.00000 23.45426
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53 2 -1.70000000 1.26787 1.26787 22.43791
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54 2 -1.70000000 1.26787 1.26787 25.04394
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55 2 -1.70000000 1.26787 3.80360 21.86458
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56 2 -1.70000000 1.26787 3.80360 24.47061
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57 2 -1.70000000 3.80360 1.26787 21.86458
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58 2 -1.70000000 3.80360 1.26787 24.47061
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59 2 -1.70000000 3.80360 3.80360 22.43791
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60 2 -1.70000000 3.80360 3.80360 25.04394
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61 1 3.40000000 2.53573 7.60719 2.60603
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62 1 3.40000000 2.53573 5.07146 0.00000
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63 1 3.40000000 0.00000 7.60719 0.00000
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64 1 3.40000000 0.00000 5.07146 2.60603
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65 2 -1.70000000 1.26787 6.33933 1.58968
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66 2 -1.70000000 1.26787 6.33933 4.19571
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67 2 -1.70000000 1.26787 8.87506 1.01635
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68 2 -1.70000000 1.26787 8.87506 3.62238
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69 2 -1.70000000 3.80360 6.33933 1.01635
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70 2 -1.70000000 3.80360 6.33933 3.62238
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71 2 -1.70000000 3.80360 8.87506 1.58968
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72 2 -1.70000000 3.80360 8.87506 4.19571
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73 1 3.40000000 2.53573 7.60719 7.81809
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74 1 3.40000000 2.53573 5.07146 5.21206
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75 1 3.40000000 0.00000 7.60719 5.21206
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76 1 3.40000000 0.00000 5.07146 7.81809
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77 2 -1.70000000 1.26787 6.33933 6.80174
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78 2 -1.70000000 1.26787 6.33933 9.40776
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79 2 -1.70000000 1.26787 8.87506 6.22841
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80 2 -1.70000000 1.26787 8.87506 8.83444
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81 2 -1.70000000 3.80360 6.33933 6.22841
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82 2 -1.70000000 3.80360 6.33933 8.83444
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83 2 -1.70000000 3.80360 8.87506 6.80174
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84 2 -1.70000000 3.80360 8.87506 9.40776
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85 1 3.40000000 2.53573 7.60719 13.03014
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86 1 3.40000000 2.53573 5.07146 10.42412
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87 1 3.40000000 0.00000 7.60719 10.42412
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88 1 3.40000000 0.00000 5.07146 13.03014
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89 2 -1.70000000 1.26787 6.33933 12.01379
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90 2 -1.70000000 1.26787 6.33933 14.61982
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91 2 -1.70000000 1.26787 8.87506 11.44047
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92 2 -1.70000000 1.26787 8.87506 14.04649
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93 2 -1.70000000 3.80360 6.33933 11.44047
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94 2 -1.70000000 3.80360 6.33933 14.04649
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95 2 -1.70000000 3.80360 8.87506 12.01379
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96 2 -1.70000000 3.80360 8.87506 14.61982
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97 1 3.40000000 2.53573 7.60719 18.24220
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98 1 3.40000000 2.53573 5.07146 15.63617
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99 1 3.40000000 0.00000 7.60719 15.63617
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100 1 3.40000000 0.00000 5.07146 18.24220
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101 2 -1.70000000 1.26787 6.33933 17.22585
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102 2 -1.70000000 1.26787 6.33933 19.83188
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103 2 -1.70000000 1.26787 8.87506 16.65252
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104 2 -1.70000000 1.26787 8.87506 19.25855
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105 2 -1.70000000 3.80360 6.33933 16.65252
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106 2 -1.70000000 3.80360 6.33933 19.25855
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107 2 -1.70000000 3.80360 8.87506 17.22585
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108 2 -1.70000000 3.80360 8.87506 19.83188
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109 1 3.40000000 2.53573 7.60719 23.45426
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110 1 3.40000000 2.53573 5.07146 20.84823
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111 1 3.40000000 0.00000 7.60719 20.84823
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112 1 3.40000000 0.00000 5.07146 23.45426
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113 2 -1.70000000 1.26787 6.33933 22.43791
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114 2 -1.70000000 1.26787 6.33933 25.04394
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115 2 -1.70000000 1.26787 8.87506 21.86458
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116 2 -1.70000000 1.26787 8.87506 24.47061
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117 2 -1.70000000 3.80360 6.33933 21.86458
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118 2 -1.70000000 3.80360 6.33933 24.47061
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119 2 -1.70000000 3.80360 8.87506 22.43791
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120 2 -1.70000000 3.80360 8.87506 25.04394
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121 1 3.40000000 2.53573 12.67866 2.60603
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122 1 3.40000000 2.53573 10.14292 0.00000
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123 1 3.40000000 0.00000 12.67866 0.00000
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124 1 3.40000000 0.00000 10.14292 2.60603
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125 2 -1.70000000 1.26787 11.41079 1.58968
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126 2 -1.70000000 1.26787 11.41079 4.19571
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127 2 -1.70000000 1.26787 13.94652 1.01635
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128 2 -1.70000000 1.26787 13.94652 3.62238
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129 2 -1.70000000 3.80360 11.41079 1.01635
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130 2 -1.70000000 3.80360 11.41079 3.62238
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131 2 -1.70000000 3.80360 13.94652 1.58968
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132 2 -1.70000000 3.80360 13.94652 4.19571
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133 1 3.40000000 2.53573 12.67866 7.81809
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134 1 3.40000000 2.53573 10.14292 5.21206
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135 1 3.40000000 0.00000 12.67866 5.21206
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136 1 3.40000000 0.00000 10.14292 7.81809
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137 2 -1.70000000 1.26787 11.41079 6.80174
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138 2 -1.70000000 1.26787 11.41079 9.40776
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139 2 -1.70000000 1.26787 13.94652 6.22841
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140 2 -1.70000000 1.26787 13.94652 8.83444
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141 2 -1.70000000 3.80360 11.41079 6.22841
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142 2 -1.70000000 3.80360 11.41079 8.83444
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143 2 -1.70000000 3.80360 13.94652 6.80174
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144 2 -1.70000000 3.80360 13.94652 9.40776
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145 1 3.40000000 2.53573 12.67866 13.03014
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146 1 3.40000000 2.53573 10.14292 10.42412
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147 1 3.40000000 0.00000 12.67866 10.42412
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148 1 3.40000000 0.00000 10.14292 13.03014
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149 2 -1.70000000 1.26787 11.41079 12.01379
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150 2 -1.70000000 1.26787 11.41079 14.61982
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151 2 -1.70000000 1.26787 13.94652 11.44047
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152 2 -1.70000000 1.26787 13.94652 14.04649
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153 2 -1.70000000 3.80360 11.41079 11.44047
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154 2 -1.70000000 3.80360 11.41079 14.04649
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155 2 -1.70000000 3.80360 13.94652 12.01379
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156 2 -1.70000000 3.80360 13.94652 14.61982
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157 1 3.40000000 2.53573 12.67866 18.24220
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158 1 3.40000000 2.53573 10.14292 15.63617
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159 1 3.40000000 0.00000 12.67866 15.63617
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160 1 3.40000000 0.00000 10.14292 18.24220
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161 2 -1.70000000 1.26787 11.41079 17.22585
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162 2 -1.70000000 1.26787 11.41079 19.83188
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163 2 -1.70000000 1.26787 13.94652 16.65252
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164 2 -1.70000000 1.26787 13.94652 19.25855
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165 2 -1.70000000 3.80360 11.41079 16.65252
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166 2 -1.70000000 3.80360 11.41079 19.25855
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167 2 -1.70000000 3.80360 13.94652 17.22585
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168 2 -1.70000000 3.80360 13.94652 19.83188
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169 1 3.40000000 2.53573 12.67866 23.45426
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170 1 3.40000000 2.53573 10.14292 20.84823
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171 1 3.40000000 0.00000 12.67866 20.84823
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172 1 3.40000000 0.00000 10.14292 23.45426
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173 2 -1.70000000 1.26787 11.41079 22.43791
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174 2 -1.70000000 1.26787 11.41079 25.04394
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175 2 -1.70000000 1.26787 13.94652 21.86458
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176 2 -1.70000000 1.26787 13.94652 24.47061
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177 2 -1.70000000 3.80360 11.41079 21.86458
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178 2 -1.70000000 3.80360 11.41079 24.47061
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179 2 -1.70000000 3.80360 13.94652 22.43791
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180 2 -1.70000000 3.80360 13.94652 25.04394
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181 1 3.40000000 2.53573 17.75012 2.60603
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182 1 3.40000000 2.53573 15.21439 0.00000
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183 1 3.40000000 0.00000 17.75012 0.00000
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184 1 3.40000000 0.00000 15.21439 2.60603
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185 2 -1.70000000 1.26787 16.48225 1.58968
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186 2 -1.70000000 1.26787 16.48225 4.19571
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187 2 -1.70000000 1.26787 19.01798 1.01635
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188 2 -1.70000000 1.26787 19.01798 3.62238
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189 2 -1.70000000 3.80360 16.48225 1.01635
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190 2 -1.70000000 3.80360 16.48225 3.62238
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191 2 -1.70000000 3.80360 19.01798 1.58968
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192 2 -1.70000000 3.80360 19.01798 4.19571
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193 1 3.40000000 2.53573 17.75012 7.81809
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194 1 3.40000000 2.53573 15.21439 5.21206
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195 1 3.40000000 0.00000 17.75012 5.21206
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196 1 3.40000000 0.00000 15.21439 7.81809
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197 2 -1.70000000 1.26787 16.48225 6.80174
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198 2 -1.70000000 1.26787 16.48225 9.40776
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199 2 -1.70000000 1.26787 19.01798 6.22841
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200 2 -1.70000000 1.26787 19.01798 8.83444
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201 2 -1.70000000 3.80360 16.48225 6.22841
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202 2 -1.70000000 3.80360 16.48225 8.83444
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203 2 -1.70000000 3.80360 19.01798 6.80174
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204 2 -1.70000000 3.80360 19.01798 9.40776
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205 1 3.40000000 2.53573 17.75012 13.03014
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206 1 3.40000000 2.53573 15.21439 10.42412
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207 1 3.40000000 0.00000 17.75012 10.42412
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208 1 3.40000000 0.00000 15.21439 13.03014
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209 2 -1.70000000 1.26787 16.48225 12.01379
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210 2 -1.70000000 1.26787 16.48225 14.61982
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211 2 -1.70000000 1.26787 19.01798 11.44047
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212 2 -1.70000000 1.26787 19.01798 14.04649
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213 2 -1.70000000 3.80360 16.48225 11.44047
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214 2 -1.70000000 3.80360 16.48225 14.04649
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215 2 -1.70000000 3.80360 19.01798 12.01379
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216 2 -1.70000000 3.80360 19.01798 14.61982
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841 1 3.40000000 12.67866 22.82158 2.60603
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855 1 3.40000000 10.14292 22.82158 5.21206
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876 2 -1.70000000 13.94652 24.08945 14.61982
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877 1 3.40000000 12.67866 22.82158 18.24220
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879 1 3.40000000 10.14292 22.82158 15.63617
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883 2 -1.70000000 11.41079 24.08945 16.65252
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886 2 -1.70000000 13.94652 21.55372 19.25855
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887 2 -1.70000000 13.94652 24.08945 17.22585
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888 2 -1.70000000 13.94652 24.08945 19.83188
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889 1 3.40000000 12.67866 22.82158 23.45426
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891 1 3.40000000 10.14292 22.82158 20.84823
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897 2 -1.70000000 13.94652 21.55372 21.86458
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898 2 -1.70000000 13.94652 21.55372 24.47061
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900 2 -1.70000000 13.94652 24.08945 25.04394
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901 1 3.40000000 17.75012 2.53573 2.60603
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902 1 3.40000000 17.75012 0.00000 0.00000
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1351 2 -1.70000000 21.55372 13.94652 11.44047
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1369 1 3.40000000 22.82158 12.67866 23.45426
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1371 1 3.40000000 20.28585 12.67866 20.84823
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1379 2 -1.70000000 24.08945 13.94652 22.43791
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1380 2 -1.70000000 24.08945 13.94652 25.04394
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1381 1 3.40000000 22.82158 17.75012 2.60603
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1382 1 3.40000000 22.82158 15.21439 0.00000
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1383 1 3.40000000 20.28585 17.75012 0.00000
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1386 2 -1.70000000 21.55372 16.48225 4.19571
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1387 2 -1.70000000 21.55372 19.01798 1.01635
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1388 2 -1.70000000 21.55372 19.01798 3.62238
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1389 2 -1.70000000 24.08945 16.48225 1.01635
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1400 2 -1.70000000 21.55372 19.01798 8.83444
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1401 2 -1.70000000 24.08945 16.48225 6.22841
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1402 2 -1.70000000 24.08945 16.48225 8.83444
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1403 2 -1.70000000 24.08945 19.01798 6.80174
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1404 2 -1.70000000 24.08945 19.01798 9.40776
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1410 2 -1.70000000 21.55372 16.48225 14.61982
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1411 2 -1.70000000 21.55372 19.01798 11.44047
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1414 2 -1.70000000 24.08945 16.48225 14.04649
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1415 2 -1.70000000 24.08945 19.01798 12.01379
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1416 2 -1.70000000 24.08945 19.01798 14.61982
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1417 1 3.40000000 22.82158 17.75012 18.24220
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1423 2 -1.70000000 21.55372 19.01798 16.65252
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1424 2 -1.70000000 21.55372 19.01798 19.25855
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1425 2 -1.70000000 24.08945 16.48225 16.65252
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1426 2 -1.70000000 24.08945 16.48225 19.25855
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1427 2 -1.70000000 24.08945 19.01798 17.22585
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1428 2 -1.70000000 24.08945 19.01798 19.83188
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1429 1 3.40000000 22.82158 17.75012 23.45426
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1430 1 3.40000000 22.82158 15.21439 20.84823
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1431 1 3.40000000 20.28585 17.75012 20.84823
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1432 1 3.40000000 20.28585 15.21439 23.45426
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1433 2 -1.70000000 21.55372 16.48225 22.43791
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1434 2 -1.70000000 21.55372 16.48225 25.04394
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1435 2 -1.70000000 21.55372 19.01798 21.86458
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1436 2 -1.70000000 21.55372 19.01798 24.47061
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1441 1 3.40000000 22.82158 22.82158 2.60603
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1448 2 -1.70000000 21.55372 24.08945 3.62238
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1453 1 3.40000000 22.82158 22.82158 7.81809
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1459 2 -1.70000000 21.55372 24.08945 6.22841
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1461 2 -1.70000000 24.08945 21.55372 6.22841
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1463 2 -1.70000000 24.08945 24.08945 6.80174
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1464 2 -1.70000000 24.08945 24.08945 9.40776
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1465 1 3.40000000 22.82158 22.82158 13.03014
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1468 1 3.40000000 20.28585 20.28585 13.03014
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1469 2 -1.70000000 21.55372 21.55372 12.01379
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1470 2 -1.70000000 21.55372 21.55372 14.61982
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1471 2 -1.70000000 21.55372 24.08945 11.44047
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1472 2 -1.70000000 21.55372 24.08945 14.04649
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1474 2 -1.70000000 24.08945 21.55372 14.04649
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1475 2 -1.70000000 24.08945 24.08945 12.01379
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1476 2 -1.70000000 24.08945 24.08945 14.61982
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1477 1 3.40000000 22.82158 22.82158 18.24220
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1478 1 3.40000000 22.82158 20.28585 15.63617
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1483 2 -1.70000000 21.55372 24.08945 16.65252
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1484 2 -1.70000000 21.55372 24.08945 19.25855
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1485 2 -1.70000000 24.08945 21.55372 16.65252
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1486 2 -1.70000000 24.08945 21.55372 19.25855
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1487 2 -1.70000000 24.08945 24.08945 17.22585
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1488 2 -1.70000000 24.08945 24.08945 19.83188
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1489 1 3.40000000 22.82158 22.82158 23.45426
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1490 1 3.40000000 22.82158 20.28585 20.84823
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1491 1 3.40000000 20.28585 22.82158 20.84823
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1492 1 3.40000000 20.28585 20.28585 23.45426
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1493 2 -1.70000000 21.55372 21.55372 22.43791
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1494 2 -1.70000000 21.55372 21.55372 25.04394
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1495 2 -1.70000000 21.55372 24.08945 21.86458
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1496 2 -1.70000000 21.55372 24.08945 24.47061
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1497 2 -1.70000000 24.08945 21.55372 21.86458
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1498 2 -1.70000000 24.08945 21.55372 24.47061
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1499 2 -1.70000000 24.08945 24.08945 22.43791
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1500 2 -1.70000000 24.08945 24.08945 25.04394
|
