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222 lines
6.7 KiB
Plaintext
222 lines
6.7 KiB
Plaintext
# MSMS solvent excluded surface faces for /tmp/tmpcQE9uf/xxxx.xyzr
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#faces #sphere density probe_r
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218 10 1.00 1.40
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1 5 2 3 3
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2 5 4 3 3
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5 61 6 3 5
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6 61 62 3 5
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61 63 62 3 5
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62 63 64 3 5
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63 65 64 3 5
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64 65 66 3 5
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65 8 66 3 5
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66 8 7 3 5
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8 1 9 3 6
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9 1 3 3 6
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9 11 7 3 8
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7 11 10 3 8
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11 14 12 3 10
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12 14 13 3 10
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14 17 15 3 12
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15 17 16 3 12
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17 20 18 3 14
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18 20 19 3 14
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20 68 67 3 16
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67 68 69 3 16
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67 69 21 3 16
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21 69 70 3 16
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68 71 69 3 16
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69 71 72 3 16
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69 72 70 3 16
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70 72 73 3 16
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71 23 72 3 16
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72 23 74 3 16
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72 74 73 3 16
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73 74 22 3 16
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23 26 24 3 18
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24 26 25 3 18
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26 29 27 3 20
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27 29 28 3 20
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29 32 30 3 22
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30 32 31 3 22
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32 35 33 3 24
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33 35 34 3 24
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35 3 36 3 25
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36 3 2 3 25
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36 38 34 3 27
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34 38 37 3 27
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38 4 39 3 28
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39 4 6 3 28
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39 41 37 3 30
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37 41 40 3 30
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41 44 42 3 32
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42 44 43 3 32
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44 75 45 3 34
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45 75 76 3 34
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75 77 76 3 34
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76 77 78 3 34
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77 79 78 3 34
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78 79 80 3 34
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79 47 80 3 34
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80 47 46 3 34
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47 50 48 3 36
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48 50 49 3 36
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50 81 51 3 37
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51 81 82 3 37
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81 83 82 3 37
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82 83 84 3 37
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83 10 84 3 37
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84 10 12 3 37
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51 13 49 3 38
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49 13 15 3 38
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48 53 46 3 40
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46 53 52 3 40
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53 56 54 3 42
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54 56 55 3 42
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56 59 57 3 44
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57 59 58 3 44
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59 28 60 3 45
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60 28 30 3 45
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60 31 58 3 46
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58 31 33 3 46
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57 40 55 3 47
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55 40 42 3 47
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54 43 52 3 48
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52 43 45 3 48
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27 85 25 3 49
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25 85 86 3 49
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85 87 86 3 49
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86 87 88 3 49
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87 89 88 3 49
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88 89 90 3 49
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89 91 90 3 49
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90 91 92 3 49
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91 16 92 3 49
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92 16 18 3 49
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24 93 22 3 50
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22 93 94 3 50
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93 19 94 3 50
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94 19 21 3 50
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3 1 2 2 1
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6 4 5 2 2
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9 7 8 2 4
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12 10 11 2 7
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15 13 14 2 9
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18 16 17 2 11
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21 19 67 2 13
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67 19 20 2 13
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24 22 74 2 15
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24 74 23 2 15
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27 25 26 2 17
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30 28 29 2 19
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33 31 32 2 21
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36 34 35 2 23
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39 37 38 2 26
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42 40 41 2 29
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45 43 44 2 31
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48 46 47 2 33
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51 49 50 2 35
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54 52 53 2 39
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57 55 56 2 41
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60 58 59 2 43
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1 8 95 1 51
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1 95 5 1 51
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5 95 61 1 51
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61 95 63 1 51
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63 95 65 1 51
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65 95 8 1 51
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4 38 36 1 52
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4 36 2 1 52
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7 10 66 1 53
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66 10 83 1 53
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66 83 64 1 53
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64 83 77 1 53
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64 77 75 1 53
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64 75 62 1 53
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62 75 41 1 53
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62 41 39 1 53
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62 39 6 1 53
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41 75 44 1 53
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77 83 81 1 53
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77 81 79 1 53
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79 81 50 1 53
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79 50 47 1 53
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98 97 100 1 54
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99 98 100 1 54
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99 100 35 1 54
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99 35 96 1 54
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99 96 71 1 54
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99 71 98 1 54
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98 71 68 1 54
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98 68 97 1 54
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97 68 11 1 54
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97 11 9 1 54
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97 9 100 1 54
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100 9 3 1 54
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100 3 35 1 54
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11 68 20 1 54
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11 20 17 1 54
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11 17 14 1 54
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71 96 23 1 54
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23 96 26 1 54
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26 96 29 1 54
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29 96 32 1 54
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32 96 35 1 54
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13 51 82 1 55
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13 82 84 1 55
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13 84 12 1 55
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103 104 105 1 56
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101 103 105 1 56
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101 105 53 1 56
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101 53 48 1 56
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101 48 102 1 56
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101 102 89 1 56
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101 89 87 1 56
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101 87 103 1 56
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104 85 59 1 56
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104 59 56 1 56
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104 56 105 1 56
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105 56 53 1 56
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59 85 28 1 56
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28 85 27 1 56
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89 102 91 1 56
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91 102 49 1 56
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91 49 15 1 56
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91 15 16 1 56
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49 102 48 1 56
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106 107 108 1 57
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106 108 109 1 57
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106 109 88 1 57
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106 88 90 1 57
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106 90 107 1 57
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107 90 92 1 57
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107 92 18 1 57
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107 18 19 1 57
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107 19 93 1 57
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107 93 108 1 57
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108 93 109 1 57
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109 93 24 1 57
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109 24 25 1 57
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109 25 86 1 57
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109 86 88 1 57
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94 21 70 1 58
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94 73 22 1 58
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31 60 30 1 59
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34 37 110 1 60
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34 110 33 1 60
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33 110 58 1 60
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58 110 57 1 60
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57 110 40 1 60
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40 110 37 1 60
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43 54 55 1 61
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43 55 42 1 61
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46 52 111 1 62
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46 111 80 1 62
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80 111 78 1 62
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78 111 76 1 62
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76 111 45 1 62
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45 111 52 1 62
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