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SAGAR
Database
MATLAB-code
ASE database
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age
Time since creation
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
energy
Total energy
eV
fmax
Maximum force
eV/Ang
formula
Chemical formula
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
perms_num
smax
Maximum stress on unit cell
eV/Ang
3
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 1-31 out of 31
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VASP file
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Time since creation (age)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 200
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ID
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Formula
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1
C
60
H
18
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2
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3
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5
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6
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7
C
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8
C
60
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9
C
60
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18
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10
C
60
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18
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11
C
60
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18
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12
C
60
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13
C
60
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18
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14
C
60
H
18
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15
C
60
H
18
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16
C
60
H
18
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17
C
60
H
18
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18
C
60
H
18
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19
C
60
H
18
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20
C
60
H
18
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21
C
60
H
18
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22
C
60
H
18
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23
C
60
H
18
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24
C
60
H
18
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25
C
60
H
18
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26
C
60
H
18
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27
C
60
H
18
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28
C
60
H
18
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29
C
60
H
18
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30
C
60
H
18
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31
C
60
H
18
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32
C
60
H
18
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33
C
60
H
18
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34
C
60
H
18
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35
C
60
H
18
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36
C
60
H
18
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37
C
60
H
18
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38
C
60
H
18
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39
C
60
H
18
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40
C
60
H
18
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41
C
60
H
18
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42
C
60
H
18
vasp
43
C
60
H
18
vasp
44
C
60
H
18
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45
C
60
H
18
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46
C
60
H
18
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47
C
60
H
18
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48
C
60
H
18
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49
C
60
H
18
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50
C
60
H
18
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51
C
60
H
18
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52
C
60
H
18
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53
C
60
H
18
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54
C
60
H
18
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55
C
60
H
18
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56
C
60
H
18
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57
C
60
H
18
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58
C
60
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18
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59
C
60
H
18
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60
C
60
H
18
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61
C
60
H
18
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62
C
60
H
18
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63
C
60
H
18
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64
C
60
H
18
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65
C
60
H
18
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66
C
60
H
18
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67
C
60
H
18
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68
C
60
H
18
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69
C
60
H
18
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70
C
60
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18
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71
C
60
H
18
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72
C
60
H
18
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73
C
60
H
18
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74
C
60
H
18
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75
C
60
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18
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76
C
60
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18
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77
C
60
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18
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78
C
60
H
18
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79
C
60
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18
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80
C
60
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18
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81
C
60
H
18
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82
C
60
H
18
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83
C
60
H
18
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84
C
60
H
18
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85
C
60
H
18
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86
C
60
H
18
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87
C
60
H
18
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88
C
60
H
18
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89
C
60
H
18
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90
C
60
H
18
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91
C
60
H
18
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92
C
60
H
18
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93
C
60
H
18
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94
C
60
H
18
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95
C
60
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18
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96
C
60
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18
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97
C
60
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18
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98
C
60
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18
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99
C
60
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18
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100
C
60
H
18
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101
C
60
H
18
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102
C
60
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18
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103
C
60
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18
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104
C
60
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105
C
60
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18
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106
C
60
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107
C
60
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18
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108
C
60
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18
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109
C
60
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18
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110
C
60
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18
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111
C
60
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18
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112
C
60
H
18
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113
C
60
H
18
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114
C
60
H
18
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115
C
60
H
18
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116
C
60
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18
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117
C
60
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18
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118
C
60
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18
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119
C
60
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18
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120
C
60
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18
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121
C
60
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18
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122
C
60
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18
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123
C
60
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18
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124
C
60
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18
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125
C
60
H
18
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126
C
60
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18
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127
C
60
H
18
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128
C
60
H
18
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129
C
60
H
18
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130
C
60
H
18
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131
C
60
H
18
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132
C
60
H
18
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133
C
60
H
18
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134
C
60
H
18
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135
C
60
H
18
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136
C
60
H
18
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137
C
60
H
18
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138
C
60
H
18
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139
C
60
H
18
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140
C
60
H
18
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141
C
60
H
18
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142
C
60
H
18
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143
C
60
H
18
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144
C
60
H
18
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145
C
60
H
18
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146
C
60
H
18
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147
C
60
H
18
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148
C
60
H
18
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149
C
60
H
18
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150
C
60
H
18
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151
C
60
H
18
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152
C
60
H
18
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153
C
60
H
18
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154
C
60
H
18
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155
C
60
H
18
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156
C
60
H
18
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157
C
60
H
18
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158
C
60
H
18
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159
C
60
H
18
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160
C
60
H
18
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161
C
60
H
18
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162
C
60
H
18
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163
C
60
H
18
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164
C
60
H
18
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165
C
60
H
18
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166
C
60
H
18
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167
C
60
H
18
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168
C
60
H
18
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169
C
60
H
18
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170
C
60
H
18
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171
C
60
H
18
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172
C
60
H
18
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173
C
60
H
18
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174
C
60
H
18
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175
C
60
H
18
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176
C
60
H
18
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177
C
60
H
18
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178
C
60
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18
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179
C
60
H
18
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180
C
60
H
18
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181
C
60
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18
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182
C
60
H
18
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183
C
60
H
18
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184
C
60
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18
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185
C
60
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18
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186
C
60
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18
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187
C
60
H
18
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188
C
60
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18
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189
C
60
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18
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190
C
60
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18
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191
C
60
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18
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192
C
60
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18
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193
C
60
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18
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194
C
60
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18
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195
C
60
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18
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196
C
60
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18
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197
C
60
H
18
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198
C
60
H
18
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199
C
60
H
18
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200
C
60
H
18
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