forked from lijiext/lammps
1217 lines
79 KiB
Plaintext
1217 lines
79 KiB
Plaintext
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Comment line
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1200 atoms
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2 atom types
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0.0000000E+00 25.1583200000000 xlo xhi
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0.0000000E+00 25.1583200000000 ylo yhi
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0.0000000E+00 28.0202560000000 zlo zhi
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Masses
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1 28.0855
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2 15.9999
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Atoms
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1 1 2.96653 1.50970 1.50970 0.00000
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2 1 2.96653 -1.50970 -1.50970 3.50253
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3 1 2.96653 1.00613 4.02553 1.75127
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4 1 2.96653 4.02553 1.00613 5.25380
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5 2 -1.483265 1.20639 0.51947 1.24998
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6 2 -1.483265 -1.20639 -0.51947 4.75252
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7 2 -1.483265 1.99636 3.72222 3.00125
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8 2 -1.483265 3.03530 1.30944 6.50378
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9 2 -1.483265 0.51947 1.20639 -1.24998
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10 2 -1.483265 -0.51947 -1.20639 2.25255
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11 2 -1.483265 1.30944 3.03530 0.50128
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12 2 -1.483265 3.72222 1.99636 4.00381
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13 1 2.96653 1.50970 1.50970 7.00506
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14 1 2.96653 -1.50970 -1.50970 10.50760
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15 1 2.96653 1.00613 4.02553 8.75633
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16 1 2.96653 4.02553 1.00613 12.25886
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17 2 -1.483265 1.20639 0.51947 8.25505
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18 2 -1.483265 -1.20639 -0.51947 11.75758
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19 2 -1.483265 1.99636 3.72222 10.00631
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20 2 -1.483265 3.03530 1.30944 13.50885
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21 2 -1.483265 0.51947 1.20639 5.75508
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22 2 -1.483265 -0.51947 -1.20639 9.25761
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23 2 -1.483265 1.30944 3.03530 7.50635
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24 2 -1.483265 3.72222 1.99636 11.00888
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25 1 2.96653 1.50970 1.50970 14.01013
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26 1 2.96653 -1.50970 -1.50970 17.51266
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27 1 2.96653 1.00613 4.02553 15.76139
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28 1 2.96653 4.02553 1.00613 19.26393
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29 2 -1.483265 1.20639 0.51947 15.26011
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30 2 -1.483265 -1.20639 -0.51947 18.76264
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31 2 -1.483265 1.99636 3.72222 17.01138
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32 2 -1.483265 3.03530 1.30944 20.51391
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33 2 -1.483265 0.51947 1.20639 12.76014
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34 2 -1.483265 -0.51947 -1.20639 16.26268
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35 2 -1.483265 1.30944 3.03530 14.51141
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36 2 -1.483265 3.72222 1.99636 18.01394
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37 1 2.96653 1.50970 1.50970 21.01519
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38 1 2.96653 -1.50970 -1.50970 24.51772
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39 1 2.96653 1.00613 4.02553 22.76646
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40 1 2.96653 4.02553 1.00613 26.26899
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41 2 -1.483265 1.20639 0.51947 22.26518
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42 2 -1.483265 -1.20639 -0.51947 25.76771
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43 2 -1.483265 1.99636 3.72222 24.01644
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44 2 -1.483265 3.03530 1.30944 27.51897
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45 2 -1.483265 0.51947 1.20639 19.76521
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46 2 -1.483265 -0.51947 -1.20639 23.26774
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47 2 -1.483265 1.30944 3.03530 21.51647
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48 2 -1.483265 3.72222 1.99636 25.01901
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49 1 2.96653 1.50970 6.54136 0.00000
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50 1 2.96653 -1.50970 3.52196 3.50253
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51 1 2.96653 1.00613 9.05720 1.75127
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52 1 2.96653 4.02553 6.03780 5.25380
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53 2 -1.483265 1.20639 5.55113 1.24998
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54 2 -1.483265 -1.20639 4.51220 4.75252
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55 2 -1.483265 1.99636 8.75389 3.00125
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56 2 -1.483265 3.03530 6.34110 6.50378
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57 2 -1.483265 0.51947 6.23806 -1.24998
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58 2 -1.483265 -0.51947 3.82527 2.25255
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59 2 -1.483265 1.30944 8.06696 0.50128
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60 2 -1.483265 3.72222 7.02803 4.00381
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61 1 2.96653 1.50970 6.54136 7.00506
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62 1 2.96653 -1.50970 3.52196 10.50760
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63 1 2.96653 1.00613 9.05720 8.75633
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64 1 2.96653 4.02553 6.03780 12.25886
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65 2 -1.483265 1.20639 5.55113 8.25505
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66 2 -1.483265 -1.20639 4.51220 11.75758
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67 2 -1.483265 1.99636 8.75389 10.00631
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68 2 -1.483265 3.03530 6.34110 13.50885
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69 2 -1.483265 0.51947 6.23806 5.75508
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70 2 -1.483265 -0.51947 3.82527 9.25761
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71 2 -1.483265 1.30944 8.06696 7.50635
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72 2 -1.483265 3.72222 7.02803 11.00888
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73 1 2.96653 1.50970 6.54136 14.01013
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74 1 2.96653 -1.50970 3.52196 17.51266
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75 1 2.96653 1.00613 9.05720 15.76139
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76 1 2.96653 4.02553 6.03780 19.26393
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77 2 -1.483265 1.20639 5.55113 15.26011
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78 2 -1.483265 -1.20639 4.51220 18.76264
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79 2 -1.483265 1.99636 8.75389 17.01138
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80 2 -1.483265 3.03530 6.34110 20.51391
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81 2 -1.483265 0.51947 6.23806 12.76014
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82 2 -1.483265 -0.51947 3.82527 16.26268
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83 2 -1.483265 1.30944 8.06696 14.51141
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84 2 -1.483265 3.72222 7.02803 18.01394
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85 1 2.96653 1.50970 6.54136 21.01519
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86 1 2.96653 -1.50970 3.52196 24.51772
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87 1 2.96653 1.00613 9.05720 22.76646
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88 1 2.96653 4.02553 6.03780 26.26899
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89 2 -1.483265 1.20639 5.55113 22.26518
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90 2 -1.483265 -1.20639 4.51220 25.76771
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91 2 -1.483265 1.99636 8.75389 24.01644
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92 2 -1.483265 3.03530 6.34110 27.51897
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93 2 -1.483265 0.51947 6.23806 19.76521
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94 2 -1.483265 -0.51947 3.82527 23.26774
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95 2 -1.483265 1.30944 8.06696 21.51647
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96 2 -1.483265 3.72222 7.02803 25.01901
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97 1 2.96653 1.50970 11.57303 0.00000
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98 1 2.96653 -1.50970 8.55363 3.50253
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99 1 2.96653 1.00613 14.08886 1.75127
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100 1 2.96653 4.02553 11.06946 5.25380
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101 2 -1.483265 1.20639 10.58280 1.24998
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102 2 -1.483265 -1.20639 9.54386 4.75252
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103 2 -1.483265 1.99636 13.78555 3.00125
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104 2 -1.483265 3.03530 11.37277 6.50378
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105 2 -1.483265 0.51947 11.26972 -1.24998
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106 2 -1.483265 -0.51947 8.85694 2.25255
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107 2 -1.483265 1.30944 13.09863 0.50128
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108 2 -1.483265 3.72222 12.05969 4.00381
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109 1 2.96653 1.50970 11.57303 7.00506
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110 1 2.96653 -1.50970 8.55363 10.50760
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||
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|
111 1 2.96653 1.00613 14.08886 8.75633
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||
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112 1 2.96653 4.02553 11.06946 12.25886
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113 2 -1.483265 1.20639 10.58280 8.25505
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114 2 -1.483265 -1.20639 9.54386 11.75758
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115 2 -1.483265 1.99636 13.78555 10.00631
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116 2 -1.483265 3.03530 11.37277 13.50885
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117 2 -1.483265 0.51947 11.26972 5.75508
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118 2 -1.483265 -0.51947 8.85694 9.25761
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119 2 -1.483265 1.30944 13.09863 7.50635
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120 2 -1.483265 3.72222 12.05969 11.00888
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121 1 2.96653 1.50970 11.57303 14.01013
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122 1 2.96653 -1.50970 8.55363 17.51266
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123 1 2.96653 1.00613 14.08886 15.76139
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124 1 2.96653 4.02553 11.06946 19.26393
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125 2 -1.483265 1.20639 10.58280 15.26011
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126 2 -1.483265 -1.20639 9.54386 18.76264
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127 2 -1.483265 1.99636 13.78555 17.01138
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128 2 -1.483265 3.03530 11.37277 20.51391
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129 2 -1.483265 0.51947 11.26972 12.76014
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130 2 -1.483265 -0.51947 8.85694 16.26268
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131 2 -1.483265 1.30944 13.09863 14.51141
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132 2 -1.483265 3.72222 12.05969 18.01394
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133 1 2.96653 1.50970 11.57303 21.01519
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134 1 2.96653 -1.50970 8.55363 24.51772
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135 1 2.96653 1.00613 14.08886 22.76646
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136 1 2.96653 4.02553 11.06946 26.26899
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137 2 -1.483265 1.20639 10.58280 22.26518
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138 2 -1.483265 -1.20639 9.54386 25.76771
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139 2 -1.483265 1.99636 13.78555 24.01644
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140 2 -1.483265 3.03530 11.37277 27.51897
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141 2 -1.483265 0.51947 11.26972 19.76521
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142 2 -1.483265 -0.51947 8.85694 23.26774
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143 2 -1.483265 1.30944 13.09863 21.51647
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144 2 -1.483265 3.72222 12.05969 25.01901
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145 1 2.96653 1.50970 16.60469 0.00000
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146 1 2.96653 -1.50970 13.58529 3.50253
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147 1 2.96653 1.00613 19.12052 1.75127
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148 1 2.96653 4.02553 16.10112 5.25380
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149 2 -1.483265 1.20639 15.61446 1.24998
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150 2 -1.483265 -1.20639 14.57552 4.75252
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151 2 -1.483265 1.99636 18.81722 3.00125
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152 2 -1.483265 3.03530 16.40443 6.50378
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153 2 -1.483265 0.51947 16.30138 -1.24998
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154 2 -1.483265 -0.51947 13.88860 2.25255
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155 2 -1.483265 1.30944 18.13029 0.50128
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156 2 -1.483265 3.72222 17.09136 4.00381
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157 1 2.96653 1.50970 16.60469 7.00506
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158 1 2.96653 -1.50970 13.58529 10.50760
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159 1 2.96653 1.00613 19.12052 8.75633
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160 1 2.96653 4.02553 16.10112 12.25886
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161 2 -1.483265 1.20639 15.61446 8.25505
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162 2 -1.483265 -1.20639 14.57552 11.75758
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163 2 -1.483265 1.99636 18.81722 10.00631
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164 2 -1.483265 3.03530 16.40443 13.50885
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165 2 -1.483265 0.51947 16.30138 5.75508
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166 2 -1.483265 -0.51947 13.88860 9.25761
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167 2 -1.483265 1.30944 18.13029 7.50635
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168 2 -1.483265 3.72222 17.09136 11.00888
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169 1 2.96653 1.50970 16.60469 14.01013
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170 1 2.96653 -1.50970 13.58529 17.51266
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171 1 2.96653 1.00613 19.12052 15.76139
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172 1 2.96653 4.02553 16.10112 19.26393
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173 2 -1.483265 1.20639 15.61446 15.26011
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174 2 -1.483265 -1.20639 14.57552 18.76264
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175 2 -1.483265 1.99636 18.81722 17.01138
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176 2 -1.483265 3.03530 16.40443 20.51391
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177 2 -1.483265 0.51947 16.30138 12.76014
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178 2 -1.483265 -0.51947 13.88860 16.26268
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179 2 -1.483265 1.30944 18.13029 14.51141
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180 2 -1.483265 3.72222 17.09136 18.01394
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181 1 2.96653 1.50970 16.60469 21.01519
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182 1 2.96653 -1.50970 13.58529 24.51772
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183 1 2.96653 1.00613 19.12052 22.76646
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184 1 2.96653 4.02553 16.10112 26.26899
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185 2 -1.483265 1.20639 15.61446 22.26518
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186 2 -1.483265 -1.20639 14.57552 25.76771
|
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187 2 -1.483265 1.99636 18.81722 24.01644
|
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|
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188 2 -1.483265 3.03530 16.40443 27.51897
|
||
|
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189 2 -1.483265 0.51947 16.30138 19.76521
|
||
|
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190 2 -1.483265 -0.51947 13.88860 23.26774
|
||
|
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191 2 -1.483265 1.30944 18.13029 21.51647
|
||
|
|
192 2 -1.483265 3.72222 17.09136 25.01901
|
||
|
|
193 1 2.96653 1.50970 21.63636 0.00000
|
||
|
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194 1 2.96653 -1.50970 18.61696 3.50253
|
||
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195 1 2.96653 1.00613 24.15219 1.75127
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196 1 2.96653 4.02553 21.13279 5.25380
|
||
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197 2 -1.483265 1.20639 20.64612 1.24998
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||
|
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198 2 -1.483265 -1.20639 19.60719 4.75252
|
||
|
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199 2 -1.483265 1.99636 23.84888 3.00125
|
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200 2 -1.483265 3.03530 21.43610 6.50378
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201 2 -1.483265 0.51947 21.33305 -1.24998
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202 2 -1.483265 -0.51947 18.92026 2.25255
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||
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203 2 -1.483265 1.30944 23.16196 0.50128
|
||
|
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204 2 -1.483265 3.72222 22.12302 4.00381
|
||
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205 1 2.96653 1.50970 21.63636 7.00506
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206 1 2.96653 -1.50970 18.61696 10.50760
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207 1 2.96653 1.00613 24.15219 8.75633
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||
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208 1 2.96653 4.02553 21.13279 12.25886
|
||
|
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209 2 -1.483265 1.20639 20.64612 8.25505
|
||
|
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210 2 -1.483265 -1.20639 19.60719 11.75758
|
||
|
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211 2 -1.483265 1.99636 23.84888 10.00631
|
||
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212 2 -1.483265 3.03530 21.43610 13.50885
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|
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213 2 -1.483265 0.51947 21.33305 5.75508
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||
|
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214 2 -1.483265 -0.51947 18.92026 9.25761
|
||
|
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215 2 -1.483265 1.30944 23.16196 7.50635
|
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216 2 -1.483265 3.72222 22.12302 11.00888
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217 1 2.96653 1.50970 21.63636 14.01013
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218 1 2.96653 -1.50970 18.61696 17.51266
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219 1 2.96653 1.00613 24.15219 15.76139
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220 1 2.96653 4.02553 21.13279 19.26393
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221 2 -1.483265 1.20639 20.64612 15.26011
|
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222 2 -1.483265 -1.20639 19.60719 18.76264
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223 2 -1.483265 1.99636 23.84888 17.01138
|
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|
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224 2 -1.483265 3.03530 21.43610 20.51391
|
||
|
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225 2 -1.483265 0.51947 21.33305 12.76014
|
||
|
|
226 2 -1.483265 -0.51947 18.92026 16.26268
|
||
|
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227 2 -1.483265 1.30944 23.16196 14.51141
|
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228 2 -1.483265 3.72222 22.12302 18.01394
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229 1 2.96653 1.50970 21.63636 21.01519
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230 1 2.96653 -1.50970 18.61696 24.51772
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231 1 2.96653 1.00613 24.15219 22.76646
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232 1 2.96653 4.02553 21.13279 26.26899
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233 2 -1.483265 1.20639 20.64612 22.26518
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234 2 -1.483265 -1.20639 19.60719 25.76771
|
||
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967 2 -1.483265 22.12302 3.72222 3.00125
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969 2 -1.483265 20.64612 1.20639 -1.24998
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970 2 -1.483265 19.60719 -1.20639 2.25255
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978 2 -1.483265 18.92026 -0.51947 11.75758
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987 1 2.96653 21.13279 4.02553 15.76139
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992 2 -1.483265 23.16196 1.30944 20.51391
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993 2 -1.483265 20.64612 1.20639 12.76014
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994 2 -1.483265 19.60719 -1.20639 16.26268
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997 1 2.96653 21.63636 1.50970 21.01519
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998 1 2.96653 18.61696 -1.50970 24.51772
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999 1 2.96653 21.13279 4.02553 22.76646
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1000 1 2.96653 24.15219 1.00613 26.26899
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1002 2 -1.483265 18.92026 -0.51947 25.76771
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1004 2 -1.483265 23.16196 1.30944 27.51897
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1006 2 -1.483265 19.60719 -1.20639 23.26774
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1008 2 -1.483265 23.84888 1.99636 25.01901
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1057 1 2.96653 21.63636 11.57303 0.00000
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1100 2 -1.483265 23.16196 11.37277 27.51897
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1101 2 -1.483265 20.64612 11.26972 19.76521
|
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1102 2 -1.483265 19.60719 8.85694 23.26774
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1103 2 -1.483265 21.43610 13.09863 21.51647
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1104 2 -1.483265 23.84888 12.05969 25.01901
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1105 1 2.96653 21.63636 16.60469 0.00000
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||
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||
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1107 1 2.96653 21.13279 19.12052 1.75127
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|
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1117 1 2.96653 21.63636 16.60469 7.00506
|
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|
||
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|
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1120 1 2.96653 24.15219 16.10112 12.25886
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1126 2 -1.483265 19.60719 13.88860 9.25761
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1127 2 -1.483265 21.43610 18.13029 7.50635
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1128 2 -1.483265 23.84888 17.09136 11.00888
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1129 1 2.96653 21.63636 16.60469 14.01013
|
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1130 1 2.96653 18.61696 13.58529 17.51266
|
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1131 1 2.96653 21.13279 19.12052 15.76139
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|
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1152 2 -1.483265 23.84888 17.09136 25.01901
|
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1153 1 2.96653 21.63636 21.63636 0.00000
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1154 1 2.96653 18.61696 18.61696 3.50253
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1155 1 2.96653 21.13279 24.15219 1.75127
|
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|
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|
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|
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|
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|
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1165 1 2.96653 21.63636 21.63636 7.00506
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1166 1 2.96653 18.61696 18.61696 10.50760
|
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1167 1 2.96653 21.13279 24.15219 8.75633
|
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|
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|
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|
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1177 1 2.96653 21.63636 21.63636 14.01013
|
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|
||
|
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1179 1 2.96653 21.13279 24.15219 15.76139
|
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|
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|
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|
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|
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|
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|
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|
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1189 1 2.96653 21.63636 21.63636 21.01519
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1190 1 2.96653 18.61696 18.61696 24.51772
|
||
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1191 1 2.96653 21.13279 24.15219 22.76646
|
||
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|
||
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1193 2 -1.483265 21.33305 20.64612 22.26518
|
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1194 2 -1.483265 18.92026 19.60719 25.76771
|
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1195 2 -1.483265 22.12302 23.84888 24.01644
|
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1196 2 -1.483265 23.16196 21.43610 27.51897
|
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|
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|
|
1198 2 -1.483265 19.60719 18.92026 23.26774
|
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|
|
1199 2 -1.483265 21.43610 23.16196 21.51647
|
||
|
|
1200 2 -1.483265 23.84888 22.12302 25.01901
|