merges.txt

#version: 0.2
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 127.06  129.1
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 92.04  91.03
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 64.05  64.04
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 13 3.09
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 71.93 72.94  73.95
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 174.16  180.14
 131.09  133.1 135.12
 73 .05
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 101.07  103.12
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 74 .04
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 107 .44
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 199 .99
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 99.07  101.04
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2.5 7
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 102 .03
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 262.07  26
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 73.09  71.04
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 145.1 147.12  149.13
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 112.08  113.04
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 177.98  182.99
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 129 .08 129.09
 41.03 41 .0
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 21 3.21
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 129.08 129.09  129.1 129.12
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 123.09  12
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 153.96  158.96
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 94.05 93 .01
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 161.05 168.14  171.03
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 86.1  92.55
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 102 .95
 58.07  59
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 76.04  74.99
 58.03  57.02
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 82.05  81
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 102.96  102.97
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 72 .08 8
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 176 .07
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 120 .08 122.1
 84.08 86.1  92.55
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 233.03  234.04
 23 .03
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 18 3.15
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 157 .07
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 74.03  69.02
 185.13  187.15
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 90.08 8 8.06
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 111.02  110.05 109.04
 92.55 9 9
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 216.03  216.07
 215.18  22
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 35 4
 99 .03
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 136.95  141.96
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 116.1  71.04
 0.0  -1
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 23.02  5.01
 79.05  81.07
 56 .93 55
 123.08 124 .95 125.96
 321.26  339.27
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 29 2.16
 147 .97 148.98
 162 .01 167
 40 9
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 155.05  156.15
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 161.05  171.03
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 355 .26
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 92.55 92.55 9 3.07 95.09
 212.11  214.13
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 201.16  20
 83 .04
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 374 .28
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 158.06  160.04
 69.99  69.02 68.01
 246.1 24 7.1
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 99 .06
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 69 .07
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 164 .97
 56 .01
 128 .09
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 121 .95
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 12 2.1
 129.1  130.11
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 94.05 93.01  92.04 91.03
 39 3
 120.97  120.98
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 25 7.17
 38 4
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 124 .09
 174.16  17
 36 7
 144 .05
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 211.15  213.16
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 43 3
 40 0
 50 3
 65 .03
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 146.96  146
 46 4
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 146.96  148.98
 56.93 55 .9
 49 1
 129.03  128.06
 39 8
 119 .95
 22 7.18
 41 8
 130 .09
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 111 .08
 18 3.08
 41 4.34
 74 .95
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 139 .08
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 26 1.15
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 16 6.12
 131.97 135.95  135.97
 45 .07
 59 .93
 13 4.11
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 23 5.14
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 98.06  99.09
 34 2
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 42 6
 48 7
 9 7.1
 71 .05
 79 .44
 11 6.13
 47 3
 48 1
 71.04  70
 49 7
 76.04 74.99  74.03
 62 .0
 173 .05
 49 5
 262 .01
.98  51.01 50
 72 .92
 46.03 45 .89
 171.12  173.13
 88.97 89.94 90.95  90.98
 23 .05
 129 .07
 35 .52
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c O)
 23.02  17
[N+] C)C
 86.02 85.02  82.05
N C
CC =O)
 337 .25
 9 3.07
 48 3
 141 .07
 23 .04
 9 .98
 38 4.33
 6 3.07
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 47 4
 162 .05
 175.15  177.13
 23 9.11
 35 0
 215 .02
 24 3.21
 40 6
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 146.06  148.04
 43 2.35
 75 .03
 12 7.12
 14 9.1
 183.11  183.15
 26 8.1
O)C O)C
 106 .94
 41.04  41.03
 37 8
 47 9
 101.04  104.98
 35.02  34.01 33.0
 67.98  66.41
 47 2
 123.95 125.0 125.96  128.95
 56 .97
 131 .98
 10 1.11
 36 4
 44 8
 180 .04
 182 .06
 27.9 27 .87
 28 6.11
 49 0
 9 0.12
 16 9.1
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 108.96  109.1
 -1 7
 102 .98
4 .44
N =C
 51 .0
 43 2
 46.03  46.02
 139 .99
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 61 .95
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 84.08 85.08 8 6.09 86.1
 45 .02
 43 6
 102 .09
 78 .03
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 33 2
 110 .02
 106 .08
 70.96  71.93 72.94 73.95
 18 4.11
.97  116
 43 4
 419 .34
 26 2.13
 62.44  59.9
 22 5.15
 0 .08
CCCC CCC
.89  64.04
.97 117 .94
 13 7.1
 14 2.12
 40 8
 69 .05
 47 6
3 .06
CC NCC
 18 3.12
 29 .04
 99 .95
 201 .04
 35.02 33.96  33.0
 40 4
 45.06  0.0]
4 6
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 269 .64
 154.99 155.08  155.12
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 46 .05
 148 .96
 92 .01
O=C O)
 50 7
 188.03  188.07
cccccc6 ))))))))
 115 .06
36 2.19
 12 6.09
CC 6
 91.05  92.55 93.07 95.09
 120 .96
 53.03 51 .98 51.01 50
 189.16  19
 14 3.14
 31 9.24
 121 .06
] | [2 0
 123.08  127.06
c =O)
 35 .04
 72 .93 72.94
 85 .01
 17 .03
 155 .08
 23 2.08
17 1.99
 42 4
 48 5
 34 8
 187 .03
 123 .07
 42 3
cccc cc
[NH +]
 170 .06
 174.16 180.14  182.15
2 5
 69 .01
 48 8
] | [10 3
 56 .05
 26 0.1
 144 .01
 45 6
%1 7
 146.96  148.97 148.98
 25 9.18
 90 .94 90.95
 0.0 -0 .04
1 0
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 262 .09
 45.08  45.07
 17 7.11
 127.09  127.12
7 .05
 44 2
 105 .05
 169 .52
 23.02 23 .01
 - 0.13
 121 .97
 188.06  189.04
 130 .03
 16 7.12
 259 .07
 26.99  23.02 22.99
.98 ]
 19 5.12
 45 0
C =
 13 2.08
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 47 0
 86 .06
 19 6.13
 50 1
CO CCO
 85.08 8 6.1
5 7
 27 8.11
 131 .95
] | [4 7
 142 .07
 156.15 15 7.15
6 .43
 44 4
 65 .52
 186 .06
 74 .0
CCC N
 46.04  46.01
 | [57 .07
 20 4.13
 90.95  92.55 95.09
[O-] )
cn c
 58.06  58.07
 167 .06
 -1 4
 135 .03
CCC l
 65 .96
 79.06  81.07
 278.07  291.16
 178 .99
 24 2.11
 90 .03
 73 .07
 149 .02
 111.09  11
 86.1  86.1
 114 .03
 100.06  99.06
 30 4.13
 36 8
 123 .06
 90 .04
0.11 ]
 199.99 ] | [14
 45 .09
 51 1
 101 .05
 402 .34
 92.55 9 2.56
 92.55 92.55 9 5.09
 24 8.09
 132 .97
 43 8
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 76 .02
 72 .04
 44 0
 86 .0
 155 .97
 221 .59
 396 .33
 143.97  144.0
] | [ 9
 46 2
 57 .93
 48 0
 87 .9
C=O) N
 150 .09
 123.09  129.1
 163 .04
 105.94 106.98 107.95 108 .96 113.96 114
 129.08 129.09 129.1 129.12  129.12
 87.03  86.02
 18 6.16
 114 .07
 45.08 45.07  45.06 45.04
 24 5.09
 28 9.14
 55 0
 -1 5
 89 .94
 22 5.16
 44 .03
4 8
C cccc
 140 .95
 142 .97
 115 .98
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 41.03  40
 160 .08
 -11.02  -18.01]
.08 ]
 15 9.16
 50 6
 54 7
 49 .0
 60 7
 133 .97
 92.04 90 .44
 38 0
 200.07  201.04
.96 115 .98
 104 .01
 116 .01
 177 .08
) CCC
n 6
 21 5.16
 103.12  10
 12 5.1
 45 4
 51 6
 | [55 .06
 92.55 9 7.01
 74 .02
 47 8
 49 2
 194 .06
 17 2.17
 155 .98
 125.99  138.99
O CC
 41 2
 41 4
 111 .06
 158 .95
 19 7.13
 101 .06
 117 .96
 81.61  73.09 71.04
 22 9.04
 71 .93
 102 .08
 129.03 128.06  127.05 126.04
 25 8.09
 31 7.14
 54 .03
 174.14  173.15
 -1 9
 85 .07
 91 .96
 13 9.09
 153 .94
 144 .98
 191 .04
 117.96 118 .94 118.97
 129.1 1
 58.07  6
 104 .04
 194 .98
 46 6
 156.15 15 6.16
 27 .99
 41 .05
 9 3.07 95.09
 16 3.11
 113 .96
 158 .02
 53 2
O)C 5O
 225 .04
 172 .98
 162.01 167 .01 167
a +]
[N a+]
 157.1  159.12 161.13
 14 0.12
 26 7.11
 61 .03
O) CO
 171 .98
 67 .94
 49 9
 77 .05
 177 .96
0 .05
 24 3.08
2 3
cc O)
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 146.11  144.13
. [Na+]
 55 1
 138 .06
 16 0.12
 69 .0
.96 113 .97
 103 .04
 190 .04
2 1
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 132 .01
 59.9  58.03 57.02
# N
 22 9.2
 51 9
 84.08 8 6.09 86.1
 110 .07
 18 6.09
 45 2
 58.07  61
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 24 9.15
 299 .06
C =C
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 99.07 101.04  103.12
 101 .08
 -0.16 ]
 10 0.1
 52 5
 98 .08
 81 .02
0.18 ]
5 8
 11 5.12
 51 .03
Cl) c
26 2.07
 215.02  216.03 216.07
 158.95  158.96
 16 4.11
 26 3.13
 52 .02
 200 .2
 275 .2
 148 .09
 145 .01
 9 9.04
 58.07  63
 82.05  74.46
 0 .01]
 64 .03
 55 .06
 70.07  72.94
 153.96 158.96  159.02
 233.03 234.04  244.06
 131.95  131.97
CO C=O)
 168.14  171.03
31 4.14
 102 .06
 49 4
 92.04 90 .43
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 174 .06
 257 .21 25
 12 3.1
 16 .94
 22 9.16
 72 0
 112 .06
 105.07 107.09 109.1  119.09 121.1
 35 2
 57 .94
 50 5
 137 .06
4 7
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 15 1.05
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 84 .04
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 161 .97
5 1
 52 0
 50 4
 103 .94
 137 .96
 233.09  23
 131 .07
 58.07  62
 104 .05
CCO C
 23 9.15
 34 4.18
 49 6
 129 .06
 75 .04
 75 .01
 28.0  27.9
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 50 0
 18.01  0.0]
Cl) c6
 43 .04
 150 .08
 5.01  0.0 -
 90.98  92.55
 28.02  27
Br )
 29.04  28.03
 17 4.13
 20 9.13
 51 3
 121 .04
 114 .08
 74.03  70.03
 119 .0
 132 .09
 216.09  218.07
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 46 8
 50 8
2.12  262.13
 67.01  65.03
 129.1 129.11  129.11
 130 .06
 35.02  30.01
] | [5 0
6 C
 102 .05
 52 8
 111.09  113.11
 95.05  95.09
 262.07 26 2.12 262.13
 24 9.1
 25 0.12
 50 9
 71.04  71.03
 101.04  104.98 105.07
 56 5
 47 .05
 118 .94 118.97
 128.95  128.96
 254 .2
 15 7.15
 15 4.12
 13 4.1
 16 7.11
 -1 3
 141 .0
 92.55 92.55 9 3.07
 133 .06
 41.03 41 .01
 22 7.14
 92.55 9 8
 48 4
 117 .07
4 9
C ccc
 46 .06
CCCCCCCC CCCCCCCC
 201 .21
 53.03 51 .02 51.01
 17 2.08
 113 .08
 115 .03
 264 .08
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 2 2.53
 84 .09
 58 .94
 59 .05
 0.0 -0 .09 -0.13
 135.95  135.97
 15 4.1
 18 1.12
 19 5.14
 58 .01
 92.55 9 9.09
 33 .03
 156.15 15 7.1
 11 7.1
 17 7.1
 24 3.14
 135 .99
 29 .0
 59 1
 57 5
 53 0.43
 189 .02
CN C)
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6 C)C
 13 0.15
 51 5
 54 .98
 103 .96
 177.98 182.99  183.08
 21 7.13
 85 .95
 51 7
 59 .91
 139 .06
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 53 1
 68.01  64.04
 69.99 69.02 68.01  67.98 66.41
c 5
 42 2
 68 .89 64.04
 87 .07
 75 .95
 139 .02
 174 .99
 123.08 124.95 125.96  130.97 131.97
 278.11  276.1
 127.09 127.12  131.97
 53 7
 48 2
 -2 0
 105.94 106.98 107.95 108 .96 111
.03 ]
 29 3.15
 92.55 92.55 9 6
 156 .98
 129.08 129.09 129.1 129.12 129.12  129.13
 24 1.19
 128 .94
 4 5.1
 15 6.12
 98 .96
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 167 .07
 44 4.34
 67.01  64.04 64.02
 64 .06
 125 .95 125.96
 148 .08
 116.1  116
ccccO) cc6
 46.03 45.89  41.03
- cccccc6))))))
 25 9.11
 285 .01
5 9
 100 .04
 176 .03
 246.1  291.16
 51 4
 89 .07
 51 2
 70 .05
 56 .06
 52 9
] | [3 6
 46.03  44
 82.05 81 .05
C cccccc6
 61 7
 179 .98
O= [N+]
 35.02 34.01 33.0  32.03
)) cc6
 61 9
 107.95 108 .96 113
 46.04  46.03 41.03
 355 .07
O C=O)
 54 9
 120 .01
 104.01  102.03
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 15 5.11
 17 0.15
 19 7.1
 52 3
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 17 6.1
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 30 1.12
 63 .03
 71.04  45.06
] | [3 1
 141.96  141.98
S=O) =O)O))
 6 1.05
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 17 8.12
0.1 ]
)))) )
CCCC N
 77 .96
 164 .07
 200 .97
 53.03 51.98 51.01 50 .0 45.0
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 56 7
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 295 .24
 0.05  0.0]
 97.97  99.95
 11 8.15
 13 9.12
 58 5
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 154.07  155.05 156.15
 166.99  171.99
 10 8.07
 74 .94
 446 .35
 84.92  82.05
 93 .57
cccccc6)))))) cccccc6
 251 .63
 96 .01
 181 .95
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 186 .05
 14 2.11
 18 4.13
 18 1.15
 18 2.13
 241 .2
 92.55 96 .96
C 5
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 147.97 148.98  149.98
 10 2.51
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 144 .09
 204 .03
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 58 1
 92 .03
 92 .06
 111.02 110.05 109.04  107.44
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 18 9.11
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 87 .06
 81.07  83.09
 74.04  74.0
 17 2.14
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 115 .05
 124 .95 125.96
 129 .05
 94 .07
 156 .99
 184 .99
 250 .09
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 13 9.1
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 90 .43
 105 .03
 92.55 92.55 9 4
 190 .99
 156.14  156.15
 78.03  76.04 74.99 74.03
 10 7.11
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 0.0  -2
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 53 9
 52 4
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 63 5
 110 .06
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 92.55 92.55 9 3
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 135 .08
 116.01  114.03
 171 .09
 132 .98
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 73 .03
 99 .97
 119 .98
 392 .29
199.99  | [55.94
 92.55 99 .07
 188.03 188.07  200.07 201.04
 92.55  101
c6 c%10
 163 .94
CCCC )C
 10 3.1
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 108 .08
 12 2.08
 84.08 85.08 8 5.08 8
 154.99 155.08  159.97
 46.01  45.0
 56 3
 86.1 1
 86.1  87.1
 207.14  20
 123.08  125.04
 92.55 92.55 9 7
 82.07  86.1
. Cl
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 46 2.35
 56 2
 69.02  68
 284 .05
 21 .01
 92.55  100
 240.1  239.11
 90.08 88.06  81.61
 84 .95
 76 .93
 91.05  92.55 93.07
 16 2.14
 57 7
 149 .07
 92.55 92.55 9 5
 151 .07
 401 .33
6C)C %10
 92.55  101.04
 129.1  13
 59 .06
 87 .09
 103 .05
 169 .07
 16 0.14
 53 .05
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 110.05  108.03
 170.06  172.04
 8 9.11
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 18 8.18
 30 7.15
 57 9
 55 6
 54 1
 154 .62
 93 .96
CO cccc
 174 .09
CCCCC 6
 19 9.19
 28 9.12
 53 8
 153.96  154
 70.07  72.08
167.01  | [56.97
 16 5.11
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 22 1.14
 27 3.09
 130 .0
 187 .06
[n +]
 41.03 41 .02
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 14 6.1
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 84.08  84.08 84.09
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 69.0  68.01
 58 3
 60 1
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 169 .01
O=[N+] [O-])
 8 6.09 86.1
 18 0.15
 56 1
 54 6
 153 .97
 262 .25
ccc O)
 189.02  189.04
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 55 .04
 62 1
 126 .01
 47.05  46.04 46.01
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 20 6.14
 51 8
 53 4
 149 .0
 174.11  174.16
 106.08  107.09
4 5
N cccc
 25 1.11
 59 9
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 109 .01
 143 .96
 121.95  123.95 125.0 125.96
 94.05 93.01 92.04 91.03  88.0
 225.15  22
 26.99 23.02 22.99  12.0
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 14 8.12
 86 .04
 66 3
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 85.08 8 5.08 8
 359 .03
 430 .33
 319.24  337.25
 194.06  191.16
 197.13  199.15
 26 0.11
 129.1 4
 63 .01
 190 .05
 161 .04
 283 .03
 142.13  143.12
 45.04  45.03
34 4.18
 211.15 213.16  215.18 22
 35.02 33.96 33.0  30.01
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 15 9.14
 84 .07
 71 .02
 128 .05
 88.97  89.94
 267 .0
 92.55 95 .05
 8 8.1
CCC =O)O
 129 .98
 62.0  61.03
[N+]C)C )C
 63 3
 188.03  182.06
 223 .06
 158.02  158.06 160.04
 23 5.17
 55 5
 134 .96
 187.02  189.04
 176.03  176.07
c [nH]
 147 .07
 14 2.1
 24 9.09
 41 2.32
 64 7
 67 .99
 72.94  74.95
 107.09  109.1
C 6
 10 4.13
 26 9.12
 32 .98
 54 2
 159 .95
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 123.08  127.06 129.1
cccccc6)))))) )
 19 3.12
CCCC 5
 31 7.13
 91 .08
 97 .02
 227 .02
 177.96  177.98
 216.09 218.07  234.1
N #
l )Cl
cc [nH]
 26 1.19
 23.03  23.02
 163.11  163.15
 243.08  244.06
4 4
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 11 5.11
 18 5.15
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 62 3
 183.12  185.13 187.15
 18 9.13
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 76.04  75.03
 0.05  0.02
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 57 8
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 153 .09
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 148.96  150.98
C NCC
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 74 .05
 114 .02
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 258 .27
 268 .98
 164.97  169.98 176.97
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 72.08 8 3.06
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 58.07  65
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 150 .97
 173.15  17
 147.97 148.98  149.99
 261.15  259.07
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 51 .02 51.01
 113 .93
 149 .05
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 128.94  128.95
n c6
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 84.05  84.08 86.1
 18 7.13
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P=O)O)O P=O)O)O
 18 8.14
 22 9.19
 27 2.16
 58 7
 107 .05
 116 .04
 52.02 51.01  51.0
 242.11  240.1 239.11
.2  23
 55 9
 54 0
 54 5
 63 .94
 84.08 85 .07
 205 .06
 123.95  125.96
 282 .28
 23.02 23 .0
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 15 2.12
 59 5
 69 .03
 56 9
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 133 .04
O= S=O)
 244.08  245.09
8 .24
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 156.15  161.05
 129.1 129.11  130.11
 362.19 ] | [30
 129.09  129.1
 87.9  85.02
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 73 .01
 67 5
 63 1
 65 7
 149 .06
 164 .04
 14 3.13
 16 8.19
 71 7
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 129 .99
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 183.11 183.15 ] | [12
3 .99
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 13 0.13
 17 5.11
 72 .02
 64 3
 59 3
 58.07  64
cccccc6 C
 141.96  142.97
 193 .0
 108.96 113 .96 113.97
 112.08 113.04  120.08 122.1
 123.09 12 4.1
 129.08  129.08 129.09 129.1 129.12 129.12 129.13
 85.1  87.04
O)CO)C 6O
 169.1  171.12 173.13
 155.98  156.99
 4 9.04
CC O)
 18 6.1
 21 6.1
 118 .09
 118 .94
 98.96  99.97
n 5
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 106 .99
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 147.12  149.13
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 15 .02
 56 0
 102 .07
 61 3
 91 .0
 133 .98
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 64 9
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 146 .03
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24 7.17
 16 0.11
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ccc n
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 159.95  159.97
 16 5.09
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 28 6.12
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 59 .01
 117 .09
 122 .07
 159.12 161.13  163.15
] | [14 4.05
 169.98 176.97 ] | [10
 183.14  173.15
 17 0.12
 21 7.12
 24 5.15
 71 .0
8.07  88.06
 62 0
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 64.04  64.03
 186 .96
 113.96 114 .97 117.94
[ S
CC )=O
 16 9.12
 20 8.12
 27 1.11
 25 1.18
 123 .05
 74 .06
 55 2
 61 5
 97 .99
 139 .05
 92.55 92.55 9 2
 125.96  125.97
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 136.95 141.96  141.98
 257.17  259.18
 17 6.14
 64 1
 57 6
 108 .06
 84.08 8 6.06
 60 5
 130 .98
 146 .08
 148.98  149.98
 84.08  84.08 85.08 86.1
[N+] =O)[O-]
 246 .07
 23.02 17 .89
 243.21  247.17
 67 .04
 128 .02
 221 .01
] | [11 6.09
 105.94 106.98 107.95 108 .96 113
=CCCC C)
 262.07 262.12 262.13  26
 13 .92
 55 3
 159 .01
 80 .05
 -2 3
 173 .03
 2 5.18
 19 8.09
 46 .07
 73 .08 8
 57 4
 136 .05
 180.14  182.15
 234.04  244.06
 323.13  362.19
c OC))
 10 1.12
 16 8.11
 60 0
 153.96  158.95 158.96
 303 .02
174.16  | [58.07
 475 .39
 74.03 69.02  69.01
 11 2.11
 18 1.1
 101.04  103.12
 101.04  101.05
 115 .08
 84.08 86.1  92.55 92.55
 154.99 155 .97
 45.08 45.07 45.06 45.04  45.04 45.03
 23 7.1
 108 .01
 62 7
 373 .27
 268.1  286.11
 67.01 65.03  64.04 64.02
4 3
 12 4.11
CC NC=O)
 13 1.11
 82 .06
 68 3
 63 7
)))))))) )C
 159 .96 159.97
 189.04  189
 0.05  0.0 -0
 20 0.11
 26 1.18
CO cccccc6
 5.01  -0.0 -0
 43.99  41.03 41.0
 62.44 59.9  56.93 55.9
5 5
 7 7.1
 22 5.13
 111 .04
 87 .94
 | [6 0
 74.94  75.95
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 68 5
 61 1
 85.08 8 6.09 86.1
 128.12  129.1
 118.07  130.07
158.96  | [55.94
F)F )C
cc %106
 15 0.13
 17 7.16
 21 9.16
 56 .02
 57 1
 126 .07
 46.03  41.04 41.03
 119 .05
 246.1 247.1  248.09
.07  20
 23 9.2
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 55 8
 53 0
 54 3
 104 .03
 150 .07
 96 .05
5 .99
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 11 .99
 57 .06
 42 .05
 58.07  59.07
 130 .08
 128.1  116.1
 206.04  201.15
 123.09 12 3.1
 390 .28
.97 116 .98
 11 6.11
 15 5.09
 23 7.16
 19 9.13
 55 .03
 131 .44
 52 2
 176 .96
CCCCCC 6
 174.14  174.16
 394 .31
 163.94  163
C S
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 12 4.1
 11 6.12
 17 3.18
 27 8.15
 64 .07
 65 .04
 125.96  126.97
 162 .01
ccc Cl)
 214 .01
 143.09  145.1 147.12
 162.01 167.01 167 .08 167.12
.[Na+] .[Na+]
9 5
C =CCC
 28 8.11
 59 4
 58.07  66
 93 .06
 262 .0
 131.97  132.96
 161.05  162.05
 53.03  51.01
CN C=O)
 86.02 85.02  82.03
[N+]=O)[O-])) cc6
7 8
 13 0.12
 - 0.12
 21 8.11
 20 3.18
 27 2.1
 161.05  161
 161 .03
 137.04 138.05  138.09
 262.07 26 3.07
 27.9 27.87  23.02
 15 9.04
 20 8.13
] | [1 3
 48 .02
 54 8.44
 63 .99
 100 .01
 134 .07
 165 .05
 154.99 155.08  155.97
 477 .41
 110.02  109.04
 29.04 28.03  18.01
 259.11  258.09
 261.15 259.07  257.21 25
 16 4.12
 129.1 5
 64 5
 60 8
)))))))) cc6
 100 .02
 | [58.07  58
 154.13  156.15
 11 6.15
 23 3.07
 21 0.15
 22 6.18
 55 .93
 159 .07
 93 .03
 201.16 20 3.18
 92.01  91.03
 18 1.13
 20 9.17
 59 .09
 62 6
CO ccc
] | [12 1
 203 .0
 459 .39
 204.13  20
[S i
 17 5.1
 19 6.11
cccc 6
 44 .91
 323 .27
3 .62
 16 9.14
 45 .01
 64 0
 -0 .07 -
 52 .0
 61 8
 155 .99
 137 .05
 123.95 125.0  125.95 125.96
 219 .05
CC)C )C
 164.97  169.98
 278.07 291.16  292.16
 14 1.13
 71 .01
 102 .02
 123.08  123.09
 96 .08
 212.11  21
 161.05 168.14 171.03  174.16 180.14 182.15
 143.09  145.1 147.12 149.13
 23.02 5.01  0.0 -
CCNCC ))
 86.0  76.02
 283.03  285.01
6 8
 10 0.11
 14 6.13
 16 8.09
 23 1.11
 58 0
 58 6
 70 1
 55 4
 60 .02
 63 9
 83 .05
 109 .08
CCCCCCCC CCCC
 72.08  73.08
 291.16  292.16
 384.33  402.34
  0.1
 55.94  56.94
 147.03  152.11
 85.95  90.95
 171.09  169.52
1 1
 21 3.17
 71 1
 58 2
.21  23
 59 2
 57 3
 65 3
)))))) cc6
S=O) =O)O
 28.0  27
 111.03  113.04
 35.52  35.02
 85.01  87.03
 105.94 106.98 107.95 108.96 111 .98
 18 1.14
 59 7
 60 .05
 63 6
 138 .04
CO C
 92.55 97 .97
 358 .29
 227.14  227.18
= S
 8 8.11
 15 5.13
 54 8
 146 .97
 134 .06
 204 .97
=CCC =O)
ccccN =N
 57.93  56.93 55.9
 14 9.11
 17 4.15
 19 4.13
 45 .05
 49 .01
 60 .08
 103 .06
 182 .05
CN )=O
.06 -0 .2
 130.09  131.07
 147.97 148.98 149.98  150.96
 9 1.1
 15 9.11
 18 8.12
 - 36
 19 4.15
 | [5 8.06
 123 .04
 73 .04
 88 .93
 66 1
 188 .04
 143 .08
 157 .97
 136.95  137.96
 385 .33
 82.05 81.05  79.44
 181.15  182.15
 13 6.11
 17 0.13
 68 1
 60 6
 92.55 92.55 9 9
 131.09  133.1
 255 .21
7.05  126.04
 139.02  148.98
[Si ]
4 .06
.2  25
 21 6.17
 19 6.17
 19 2.09
 44 .87
 81 .08
 62 4
 62 9
 65 0
 92 .05
 382 .31
 146.96 146 .99
 135.03  137.04 138.05
N =N
 14 5.12
 71 3
 129.1  131.09 133.1 135.12
 37 3.08
 125 .06
 135 .04
 117 .08
 77 5
 -2 6
 162 .09
 180.14  189.04
 246 .05
S=O) =O)[O-]))
182.99  | [56.94
 180.04  174.14 173.15
 267.0  268.98
 11 4.1
 14 9.04
 14 8.11
 17 1.17
 16 8.1
 19 6.14
 156.15  161.05 171.03
 171 .04
 77 .04
 93 .04
 18.01  17
 327 .2
 23.02 22 .97
 146.96 146 .97 148.98
N=C N)N
 142.07  146.06 148.04
 176.96  176.97
C cc
 22 6.12
 110 .04
 173 .06
 122 .06
 192 .04
 79.05 81.07  83.09
 14 4.12
 36 1.19
 59 0
 59 6
 69 5
 66 6
 116 .06
 128.1  116.1 71.04
 97.07  98.06 99.09
 10 3.13
 11 4.12
CC ))CC
 17 2.12
 26 1.11
 70 3
 86.1  92.55 92.55
 116.09  116.09
 105.07 107.09 109.1  112.08
 262.01  262
 139.99  141.0
 250.12  249.15
 15 8.11
 17 5.16
 16 5.1
 24 7.1
 27 7.15
 74 .07
 60 4
 445 .36
 356 .27
22 3.99
 23 8.09
 19 6.15
 33 .99
 59 .0
 70 .94
 69 7
 67 3
 68 9
 65 9
 77 .95
 0.0 -0 .05]
 136 .08
 | [56 .05
 217 .07
 59.04  58.03
 41.05  41.03
CC )
CC [NH+]
 82 .91
 63 4
)))))) )cc6
 139 .98
 112 .09
 143 .98
 119.09 121.1  123.12
 173.13  175.15 177.13
 437 .88
 143.97  144.98
 82.05 81 .04
- cccc
 15 6.13
 72 .06
 67 .03
CCC )O
 100 .96
 46.03  41.03 41.0
 182 .96
 145 .08
 153.96  154.99 155.97
 194 .05
 71.09  73.07
 140.95  141.96 142.97
 74.04 74.0  62.0 61.03
9 0
 15 6.09
 17 3.07
 | [ 8
 21 2.14
 20 1.12
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 72 .99
 69 1
 67 1
 144 .97
 190 .07
 149.96  149.98
 9 6.09
 28 3.18
CCCC )
 72 .07
 56 4
 56 8
 105 .04
 0.0 -0 .5
 189.04  190.04
 132 .06
 133 .08
 172 .97
[N+] C)
 53.03  53.0
O=C O)C
 0.03  0.0]
 108.03  107.44
 89.05  89.06
.96 117 .96
 148.96 150.98  155.98 156.99
4 2
F )cc6
.4 0
 15 3.1
 16 6.13
 - 0.18]
 21 1.14
 61 2
 66 9
 100 .05
 -2 2
 386 .34
 28.02 27 .89
 83.93  84.94
 225.15 22 4.14
 163.94 163 .96
 24 9.16
 26 3.12
 29 0.15
 83 .97
C=O) NCC
 158 .97
 134 .02
 46.04  28.03
 460 .33
 12 6.1
 11 8.11
 15 3.11
 17 2.15
 22 2.16
 70 .89
 67 7
 67 9
 97 .06
 128.95  131.97
 204 .05
COCCO ))C
 103.12 10 3.13
 99.07 101.04 103.12  104.98
CC ))
 13 3.07
 16 2.1
 20 3.13
 68 0
 68 .05
 156.15  159.03
 113 .01
 158 .99
 126 .02
 82.05  82.03
=CC )C
 122 .09
 108.96 113 .96 114
 416 .35
 321.26 339.27  357.28
 149.1  149.13
 13 5.09
 26 3.07
 71 5
 69 .04
 86.1  86
 130 .01
 63 8
 2 3.19
cc N)
 15 7.16
 26 1.12
.08 8 9
 72 .93
.96 11 9
 62 2
 124 .08
 119 .07
 5.01  0.0]
 0.0 -0.04 ]
 215.02 216.03 216.07  229.04
.2  24
 13 6.1
 19 5.15
 70 .04
 100 .09
 93 .99
 188 .05
 125.97  126.97
 23.05  23.02
 92.04 90.44  90.43
 10 6.09
 11 1.12
 40 3.35
 58.07  58.07
 88 .95
 116 .07
] | [12 0
 89.94 90.95  92.55
 196 .07
 363 .2
 64.05 64.04  59.93
 86.02 85.02 82.05  82.03
 269.64  269.12
 45.09  45.06
.96 112 .96 113
 177.96 177.98  178.99
.95 93.96  98.96 99.97
2 +]
 13 5.1
 20 2.16
 19 8.14
 71 .95
 58 4
 67 6
 81 9
 78 .0
 176 .99
 151 .06
 70.07  71.06
 45.08  45.08 45.07 45.06 45.04 45.04 45.03
[NH 2+]
  0.15
N CCC
 21 9.11
 85 .05
 89 .02
 66 5
 76 .95
 91 .94
 147 .0
 105.94  106.98
 55.94  56
 403 .34
 133.97  135.99
5 50
 21 5.13
 22 2.09
 71 .08
0.11  -0.13
 54 6.43
 88.97  90.95
 53.03  52.02 51.01
 213 .25
 427 .34
 397 .33
 22.53  22
 59.91  58.03 57.02
5 3
5 30
 5 .1
 13 0.14
 18 2.12
 18 4.15
 20 8.17
O) CCC
 59 8
cccccc6 O
 167 .08 167.12
 139 .01
 -3 0
 252 .28
 429 .36
.94 119.95 120.96  121.97
 39 8.34
 61 .0
 104 .06
 171 .97
 152 .97
 226 .95
 104.98 105.07  106.08 107.09
 72.92  68.89 64.04
 139.99  140
 49.0  46.03
 24 6.15
 27 9.12
] | [1 31
 118 .03
 94 .05
 91.05  92.55 92.55 93.07 95.09
 247 .25
 144.01  132.01
 104.05  104.01 102.03
C [N+]C)C
N cn
 7 4.1
 15 8.14
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 27 6.11
 70 .0
 69 9
 50 .03
 62 8
=O ))
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 503 .38
 108.96 109.1  113
 260.1  259.11 258.09
 181.95  181
 88.97 89.94  90.94 90.95
 10 2.13
 13 1.1
 17 7.15
 155 .07
 93 .02
 46.04  46.03
 67.06  69.07
530 .43
 11 3.07
 15 4.11
 17 2.1
 17 1.14
 29 2.09
 84 .06
 73 .98
 57 .55
 102 .96 110
 86 .03
 101.04  102.05
 174 .05
 142.13  14
 41.04  41.03 41.01
 16 9.13
 64 8
 57 .03
 68 4
 50 .99
] | [3 2
CO 5
 | [58.07  61
 142 .99
)CC )C
 149.96  154.99 155.08 155.12
cccccccc cc%106
 88.0  87.03
 36.02  34.01
3 .93
 13 0.1
 20 2.13
 37 9.2
 81 .95
 66 7
 100 .07
 133 .05
 110.05  110.05
 85.02  83.04
 227 .22
 88.97 89.94 90.95  91.96
 294 .22
 387 .31
 102.96 102.97  107.09
 123.95 125.0 125.96 128.95  128.96
 92.01  90.03
 396.33  414.34
C ccccc
N cccccc6
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 17 9.13
 19 0.13
 19 4.12
] | [1 32
 52 .01
 79 .02
 62 .04
 65 4
 120 .03
 159 .98
 93 .05
 164 .06
 173 .97
 472 .37
 223.06  225.04
 | [67 .06
7 7
 23 9.1
 20 4.15
 71 6
 70 7
 70 .89 64.04
 42 .01
 58.07  72.08
 75 7
 78 .06
 152 .05
 297 .08
 457 .38
 41.0  35.02 33.96 33.0 30.01
 156.98  159.95 159.97
 134.96  135.95 135.97
 133.04  131.44
6 0
 18 5.12
 84 .97
CCCC =O)O
 127 .07
 52 .04
 103 .09
 103 .44
 137 .99
 116 .08
 -2 8
 151 .09
 184 .97
 175 .06
 127.09  131.97
 362.19  362
 5.01 0.0 -0 .06
 129.08  129.1 129.12
 35.02 33.96 33.0  32
cccccc 96
 199.99] | [14 4.05
 233.09 23 3.08
.09  23
 27 7.14
.22 ]
 79 1
 65 5
 144 .08
 139 .0
 | [58.07  59
 245 .03
%14 C
 64.05 64.04  64.04
 108.96 109.1  113.96
 146.96 146.99  148.97 148.98
 182.96  182.99
 13 3.11
 19 5.09
 19 8.15
 129.1  130
 36 .05
 70 .98
 69 3
 81 7
 79 .98
 86.1  87
 83 1
 218 .08
] | [11 6
 195 .99
 28.02  23.04
 90.08 8 8.07 88.06
 199.15  201.16
 189.16 19 3.12
 269.64 269.12  267.11
 18 6.13
 28 1.05
 58 .02
 123 .02
 107 .97
 68 6
 60 2
 71.04  69.99 69.02 68.01
 117 .99
 | [6 3
 119.09 121.1  128.11
Br -]
 108.96 113 .96 115.98
 99.03  101.04
 71.04 70 .54
 170.06 172.04  173.05
C #
 8 7.11
 13 9.11
 18 8.15
 18 5.18
 28 .06
 45 .99
.21  22
.21  27
 37 8.19
 40 .91
 42 9.09
 158 .98
 126 .96
 172 .06
 92.55 96 .08
 102.96 102.97  102.98
 59.9 58.03 57.02  52.02 51.01
S C
 23 3.11
 25 5.11
CCCC O
 61 4
 77 7
CCO CCO
 171.03  189.04
 68.01  67.98 66.41
 199 .23
 120.97 120.98  125.99 138.99
 57.94  58.94
 251.63  251.11
 5 .02
 17 7.14
 18 6.14
 16 6.09
 19 3.13
 19 2.14
CCCC C)C
 86.1  88
 116 .05
 80 3
 148.98  149.99
 143 .0
 154.99  159.97
 196 .55
 30.01  23.02
.96 116 .95
 8 5.09
)) O
 23 8.17
 74 8
 125 .07
 148 .02
%10 C
 122 .02
 174 .03
18 4.99
 261 .06
 197 .04
 86.02 85.02  83.04
 84.96  84.96
 51.01 50 .99
 417 .32
[N+]=O)[O-])) c6
 201.16 20 3.14
 187.03  187.06
 87.09  87.1
 262.0  262.01 262
 11 1.05
 23 .23
 23 6.09
 28 .05
 58 .04
 64 6
 60 .94
 80 .95
C) c
 285 .64
 84.08 85.08 86.1  87.1
 273 .27
 169.98 176.97 ] | [103.03
 312 .23
 104.04  103.03
 153.96 158.96 159.02  159.16
 74.03 70.03  69.02
 121.95 123.95 125.0 125.96  125.97
8 .62
9 .62
s 5
.08  25
 17 1.05
 - 0.14
 22 3.09
 22 9.24
 36 0.18
 68 7
 117 .04
 98 .03
NCC N
 70.96  71.93
 88.06  81.61
 212.11 214.13  216.09
.94 102.95  103.96
6 6
.0 0
 44 .97
 85 .04
 130 .96 130.97
 76 1
 117 .06
%1 8
 153 .08
 136 .06
 | [58.07  84.08 86.1
] | [5 1
 84.08 85.08 86.1  92.55
 168 .08
.[ Br-]
182.99  | [55.94 56.94
 0.03  0.0 -0
 328 .21
 157.1  159.12
 394 .08
54 8.44
 97.07  97.1
 399 .31
 115.06  119.0
#N ))
 299.06  303.02
6 .96
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 13 8.07
 18 3.16
 16 4.14
 21 0.16
 20 0.18
 19 5.16
 24 4.13
 26 9.19
 34 6.18
 68 .89
 71.04  69.99
 149 .08
 78 .05
c6 9
 123.08  123.07
 119 .06
 162 .06
 107.95  107
 122 .05
 188.03  183.14 173.15
c%10 6
 126.09  127.06
 145.01  147.03
 174.99  177.96 177.98 178.99
  0.14
2 26
 10 2.1
 11 7.13
 17 8.13
 18 3.1
 16 5.13
 92.55  101.07 103.12
.21 ]
 53 .04
 68 .0
 120 .09
%1 2
 153 .03
 93 .01
 109 .03
 161.05  166.12
 140 .08
 205 .03
 181 .07
 | [6 2
] | [10 4
 223 .05
 159.12 161.13  163.11 163.15
 130.97 131.97  131.98
 439 .9
 458 .35
 158.06 160.04  172.04
 235.14  233.09
%17 C
 120.01  116.01 114.03
 53.03 53.0  51.02 51.01
8 0
C F)F)F
.2 ]
 12 7.1
 17 6.12
 21 7.14
 90 .08
 105 .08
 75 .07
 141 .09
 116 .98
 112 .0
=CC =CC
 168.14  169.14
 206 .05
 67.01  64.04
 277 .08
 232 .06
 92.55 97 .07
 36.02  18.01
 129.07  129.08 129.08 129.09 129.1 129.12 129.12 129.13
 268.1  26
 10 2.11
 13 8.1
 17 4.1
 18 2.08
 16 9.15
 21 0.1
 26 6.11
 33 3.13
 129.1  131
.25 ]
 81 .03
 121 .03
 78 7
 109 .02
 140 .06
 156 .05
 72.05  72.08
 297 .26
 413 .33
 369 .3
 215.16  210.09
=CCCCC) =CCCCC)
CC O)C
 15 6.11
 13 7.13
 14 7.13
 18 5.09
 18 0.11
 19 9.17
 72 7
 64 .01
 79 5
 137 .0
 98 .09
 269 .27
 215.18 22 1.15
 62.44 59.9  57.93 56.93 55.9
 355.07  359.03
C O)CC
 11 0.1
 11 0.11
 15 2.08
 16 1.15
 26 2.19
 22 4.18
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 32 2.14
 73 0
 73 9
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 88 .46
 23.02  21.01
 77 .08
 109 .0
 95 .97
 | [6 1
 212 .2
 222 .04
 168.15  170.17
ccc6 O
 89.05  71.04
 146.96 146 .97
 147.97 148.98 149.99  150.96
7 .07
 11 9.04
 23 9.09
 20 9.1
 19 0.14
 22 5.17
 70 9
 73 1
 55 .02
] | [3 9
 139 .96
 133 .95
 112.08  129.1
 | [53 .04
 90.98  92.55 92.55
 214 .05
 0.02  0.0 -0
 92.55 94 .94
 207.14  206.04 201.15
 441 .36
 84.08 84.09  84.09
 389 .33
 163.04  164.04
F)F)C F)F)C
 12 7.11
 17 0.16
 16 2.13
 20 1.17
 26 2.18
 70 6
CCC )CC
 146 .04
 93 .05 93
 300 .06
 244.08  246.1
 372 .27
 383 .32
 5.03  0.0 -0.09 -0.13
 102.96 110 .96 114
  0.13
7 0
 15 7.13
 13 1.13
 92.55  103
 22 9.1
 27 9.17
 72 9
 31 .99
 90 .05
 60 .06
 61 .98
 110 .08
 104 .95
 99 .08 82.05
 141 .08
 118 .04
 176 .01
 84.08 86.1  88
 178 .05
 198 .05
 243 .26
 220 .06
.96 118 .94 118.97
 455 .89
 371 .32
 333 .26
CCCO C=O)
 148.09  165.11
 262.07 262.12 262.13 26 2.15
3 .61
5 32
F )C
 4 6.18
 15 3.12
 15 4.14
 17 8.11
 - 0.18
 21 2.16
 22 2.19
 65 2
 66 8
 76 .07
 167 .05
 133 .46
18 1.01
 253 .2
CCC)C )
ncn 5
 105.07 107.09 109.1 119.09 121.1  123.12
 161.97  171.98
 261.15 259.07 257.21 25 7.12
4 .27
 15 6.1
 15 5.1
 18 9.14
 16 3.1
 20 0.16
 92.55  10
 25 9.17
cccc F)cc6
 44 .93
 107 .04
] | [1 19
 48 .06
 66 .98
 77 1
 154 .09
 131.97  131.98
 132 .04
 180 .0
 231 .07
 230 .21
 228 .23
37 8.19
 107.06  108.07
.07 - 0.11]
ncn c69
 111.09 11 2.1
 140.12  141.1
n cc
 12 3.11
 18 7.14
 16 3.12
 21 7.1
 19 2.1
 26 1.16
 22 3.14
 34 5.19
] | [1 30
 55 .08
 58.07  5
 63 .04
 120 .94
)))))))) ))))))
 118 .06
 161.05  161.13
 81.07  84.08 86.1
 173 .0
 257 .27
] | [12 3
 231 .08
 234.1  246.1
 83.06  84.05
 335 .28
 26.99  23.02
 117.96 118 .94
 5.01 0.0 - 0.13
 17 6.15
 17 8.09
 21 0.14
 20 1.18
 24 4.19
 22 8.15
 22 2.14
 31 .04
 90 .07
 51 .08
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 128 .08
 50 .0
 61 6
 146 .07
 77 3
 77 .57
 45.06  44
19 5.99
 207 .03
 293 .23
 111.02 110.05 109.04  109.01
 129.03 128.06  127.05
 94.07  95.09
 190.99  195.99
 84.08 85.08 85.08 8 6.1
 153.96 153.97  158.96
 18 4.12
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 23 5.13
)))) cc6
 129.1  129
 64 4
 51 .99
 70 .06
 42 3.35
 67 .07
 82 0
 71.04  6
 90.95  92.55 97.97
 150 .03
 151 .04
 215 .05
 181 .08
 256 .26
 183.11 ] | [12
 27.9 27 .01
 493 .4
 400 .32
 53.03 51.98 51.01 50 .0
I -]
 12 8.13
 14 7.11
 23 7.13
 22 9.18
 28 2.08
CCCC CN
 64 .0
 34 7.28
 74 5
 67 .02
 82 .96
 156.15  159.12
 66 4
 80 .01
)CC l
 236 .2
 121.07  122.1
 125.04  127.06
 343 .0
 375 .31
 12.0  9.98
 355.26  357.28
 530.43 ] | [47
.94 119.95 120.96 121.97  125.96 126.97
6 =O
 9 9.1
 11 8.1
 15 9.09
 18 9.17
 21 0.11
 46 .08
 107 .43
 72.94  73.95
 142 .09
 190 .09
 445 .32
 417 .33
 461 .41
 79.06 81.07  83.09
 90.04  92.55 93.07 95.09
 137.04 138.05 138.09  139.1
 189.16 193.12  195.14
- cccccc6
 6 4.14
 11 3.1
 18 .1
 18 9.15
 23 .01
 21 2.13
 29 1.19
 40 .0
 63 0
 63 .6
 156.15  157.07
 100 .03
 100 .93
 141 .03
 137 .03
 116 .03
 92.55 92.55 9 7.01
 182 .98
 218 .21
 274 .22
 266 .07
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 46.03 41.03  34.01 33.0
 184.11  212.11
 99.07 101.04 103.12  104.98 105.07
 82.05 81.04  79.44
 9 .01
 10 .99
 11 2.13
 15 8.13
 18 4.17
 18 6.18
 18 7.19
 23 4.16
 23 3.17
 23 9.19
 21 8.15
 22 6.13
 30 3.12
 30 1.14
 59 .08
 59 .03
 127 .97
 117 .98
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 186 .98
 46.04  46.03 45
 30.01  30.0
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 274 .08
 309 .26
 435 .34
=N O
 489 .45
 106.94  107.95 108
cccccc %106
 132.97  132.98
 189.11  206.14
 47.05 46.04 46.01  33.03
 97.02  96.01
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 4 5.14
 12 9.04
 17 3.14
 20 9.2
 24 7.11
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 43 .02
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 55 .99
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 153 .06
 90.95  92.55 92.55 95.09
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 134 .09
 185 .21
 264 .21
 71.06  72.08
[NH 3+]
cccccccc c6c%10
 155.05 156.15  157.07
c=O) [nH]
 130.03  102.03
 131.95 131.97  132.96
 229.16  229.2
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 174.13  174.16
 243.14  239.2
 40.91  40.02
1 .21
 4 6.1
 11 4.13
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cc C)
 13 9.04
 92.55  104
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cccc OC))
 70 5
 131 .96
 113 .98
 135 .06
 92 .43
 171 .06
 78 5
 182 .2
 162 .62
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 240 .06
 103.03  102.98
 110.05 109.04  108.03
 70.03  69.02
 418 .33
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 65.96  63.94
 207.14 20 6.13
 139.99 141.0  143.96
 9 .04
 17 3.19
 18 8.11
 21 0.19
 20 5.13
 20 9.18
 19 1.15
 19 0.12
 22 1.13
 33 .02
 72 .03
 37 1.1
 58.07  67
 88 .05
 156.15  157
 153 .0
 90.95  91.0
 80 5
 124 .07
 92.55 92.55 9 9.09
 164 .05
 215 .04
 28.0  23.02
 168 .0
 209 .08 20
C=O)O ))
 45.08  45.06 45.04
 341 .28
 443 .34
 129.09  129.1 129.11
 458 .08
 84.92  82.91
 174.16 17 5.16
 464 .36
 123.08 125.04  127.06
 86.04  86.0 76.02
 78.06  77.05
2 .62
3 .05
8 .21
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 14 5.11
 20 5.18
 28 7.28
 72 1
 125 .09
 73 5
 81 5
 105 .93
 68 .94
 120 .02
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c6 =O
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 122 .04
 262.07  262.09
 250 .07
 276 .23
174.16  | [56.01
 453 .36
 58.05  41.03
cO) c
 194.06 191.16  188.03 182.06
cccCl) ccc6
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8 .27
 9 8.1
 15 9.13
 15 8.15
 17 5.09
 17 1.16
 23 6.1
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 74 .09
 127 .01
 0.0 -0 .09 -
 92.55 92.55 9 8
CO CC
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 246.1 24 6.12
 161.05 168.14 171.03  174.16 180.14
 88.97 89.94 90.95 90.98  92.55 97.01
 278.11 276.1  272.16
 130.09 131.07  133.09
2 .22
 6 1.18
 14 3.11
 18 0.1
 18 3.13
 31 9.11
 59 .02
 69 0
 63 2
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 0.0 -0 .06
 127.06  128.06
 82.05  82.05 74.46
 96 .06
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 213 .2
 277 .22
 127.06 129.1  130.11
 127.06 129.1  137.04
 455 .36
 488 .36
 85.08 85.08 8 6.1
 225.15 224.14  224.1
 22.53 22 .03
 49.0 46.03  46.01 45.0
  0.12
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 17 9.12
 21 1.19
 19 2.13
 71 4
 30 .02
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 108 .09
 62 .99
 149 .94
 123.08  123.12
 132 .07
 112 .96 113.96 114
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 180.14  181.15 182.15
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 45.08  45.06
182.99  | [50
 358 .28
 146.96 148.98  153.94
 134.11  116.1
 177.11  177.13
 235.17  243.21 247.17
 161.05 161 .06
 8 8.07
 8 9.04
 18 7.16
 23 3.12
 21 4.16
 20 2.15
 92.55  103.12
 24 .05
 74 7
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 131 .99
 82 .04
 105 .0
 76 5
 71.04 ]
 91 .04
 75 1
 154 .61
 94 .04
 165 .06
 146.06  147.06
 231 .22
 0.02  0.0]
 -11.02 ]
 120.97 120.98  125.99
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 105.05  104.04 103.03
 191.04  192.04
3 .01
7 .64
 5 1.16
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CC l
 13 .01
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 18 6.12
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 21 6.14
 20 7.11
 22 3.15
 22 7.19
 25 0.18
 44 2.32
 107 .94
 135 .94
 84.08 86.1  87
 172 .03
 173 .99
 216 .06
 269 .65
 70.07  70
 224 .25
 298 .35
 0.02 ]
 174.11  174.14 174.16
.07 - 0.11
 123.08 124.95 125.96  129
 90.95 92.55 95.09  98.06 99.09
 0.05 0.02  0.0]
 175.11  175.15 177.13
 201.16 203.14  203.18
  0.19
 10 5.12
 13 6.12
 16 .03
 16 9.16
 20 1.14
 20 5.17
 19 1.12
 129.1  130.07
 90 .44
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 69 .2
 42 8.34
 131 .02
 81 .05
 88 .02
 120 .99
 66 0
 169 .03
 110.05  109
4.12  104.13
 160 .05
 140 .05
 257 .22
 173.13  175.15
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 201.16 20 9.13
 442 .33
6C)C%10 CCC
 146.97  147.0
2 .23
3 .6
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 13 2.11
 17 3.17
 18 1.05
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 67 0
 131 .06
CCC O)
 108 .96 111
 58.07  68
 85 1
 77 .09
 78 9
 0.0 -0 .05
 95 .0
 145 .07
 260 .08
 84.96  92.55
 279 .07
 439 .34
 72.08 8 1.07
 94.05 93.01 92.04 91.03  86.02 85.02 82.05
 36.02 34.01  29.0
 170.06 172.04 173.05  176.03 176.07
4 .61
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 12 5.11
 7 9.04
 15 8.1
 14 1.11
 18 2.14
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 23 5.1
 21 8.17
 22 6.14
 57 .05
 131 .08
 148 .99
 49 .03
 86.1  90
 89 .08 8
 92 .44
 75 5
 121 .08
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 169 .06
 190 .03
 84.08  84.08 85.08 86.09 86.1
 68.01  67.01
 105.94 106.98 107.95 108.96 113.96 114 .97 117.94
 129.1 129.11 129.11  130.11
 179.98  184.99
 193.0  200.97
2 .42
P =S
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 17 4.18
 16 3.09
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 20 3.14
 20 6.13
 26 8.07
 22 3.18
 25 5.17
 33 4.14
 72 5
 31 4.14
 44 8.34
 73 4
 73 7
 67 8
 88 .96
 -2 7
 174 .97
 123.95  124
 184 .08
 | [6 5
 218 .0
 211.15  215.18
 292 .24
 376 .3
 45.03  45.02
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 262.01  262.07
N=C N)
 221.14  239.15
 74.94 75.95  76.95
6 1
F C
 5 9.11
 12 0.13
 7 1.1
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 11 2.1
 20 3.08
 20 3.19
 92.55  129.1
 19 8.11
 24 0.15
 24 3.18
 22 2.15
 71 .99
 32 .97
 31 0.11
 69 6
 81 1
 79 .0
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 93 .0
 80 1
 174 .08
18 8.18
CN C)C
 5.01 0.0 -0 .06 -0.2
 91.06  92.55
 101.07 103.12  103.12
 61.95  53.03 51.98 51.01 50.0 45.0
 189.16 19 5.14
 93.57  93.07
 319.24 337.25  355.26
 133.98  136.95
532 .45
 11 7.12
 15 3.14
 14 4.15
 19 6.12
 22 6.19
 28 1.12
 29 0.11
 29 1.15
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 44 4.33
 123 .03
 107 .61
 82 .08
CCC =O)
 71.04  68.01 64.04
 177 .07
 125.96  128.95
 -2 9
 | [58.07  60
 68.01  64.04 64.02
 313 .26
 467 .37
 166.99  167
 92.55 92 .95 93.96 98.96 99.97
 124.09  124.09
 490 .38
 233.09 23 3.07
 548.44 ] | [49
 83.93 84.94  85.95 90.95
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2 .2
3 .58
 17 3.12
 17 2.11
 17 6.11
 84 .42
 69 4
 67 4
 54 .06
 65 6
 156.15  168.15
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 75 0
 114 .06
 124 .05
 124 .06
 142 .06
 161 .07
 186 .2
 204 .07
 191 .06
 133.1 135.12  145.1 147.12 149.13
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174.16  | [50
 70.96  71.93 72.94
 441 .38
 453 .88
 130.09  133.09
 123.95 125.0 125.96 128.95  131.97 135.95 135.97
 32.05  28.02 23.04
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5 C
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 15 8.07
 14 .02
 24 3.11
 29 .54
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 31 6.13
 90 .9
 59 .94
 70 0
 105 .99
 68 .08
 68 .88
 58.07  84.08 86.1
 111 .97
 86 .07
 135 .96
 77 9
 126 .05
 97 .04
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 203 .06
 261 .09
N) =O
 131.97 135.95  146.96 148.97 148.98
 123.08 124 .03
 344 .98
 74.04  74.03
 116.1 71.04  0.0]
 117.07  119.09 121.1
 46.03 44 .93
 446.35  445.36
 69.02 68 .02
 26.99 23.02 22.99 12.0  11.99
 211.15 213.16 215.18 22 5.16
 177.16  181.12
 237.16  239.18
 194.05  191.16
0  | [50
4 .08
 4 5.11
 10 3.11
 18 5.1
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 20 0.12
 19 4.17
 24 9.19
 26 3.08
 22 .99
 22 0.12
 29 4.11
 71 8
 55 .05
 81 6
 102 .01
 65 8
 141 .95
 72.94  73
 167 .03
 136 .0
 145 .05
cn cc6
 226 .01
 28.0  27.9 27.01
 145.1 147.12  149.1 149.13
 230 .08
 243 .22
O= P
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 435 .35
cccccccc 6
nc 5
 425 .36
 69.07  71.09
 174.16 17 4.18
%17 %14C
 150.09  152.11
 146.11 144.13  128.1
 133.06  132.06
 5.01 0.0 -0.09 -0.13  -0.16]
 151.07  150.07
 133.04 131.44  127.05
CCOCncn ccN)
 33.01  33.0
4 .63
6 .08 8
6 .22
 15 5.16
 18 2.11
 18 0.13
7.1  167.12
 21 2.12
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 67 .0
 68 8
 61 .01
 63 .08
 86 .05
 66 .03
 106 .04
 154 .04
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 94 .02
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 160 .09
 189 .01
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 76.04  74.03 69.02
 323 .28
 149.96  149.99
 166.99  167.97
Cl)c Cl)c6
C %10
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 4 6.13
 9 .99
 12 6.14
 7 1.11
 10 4.1
 14 8.07
 14 5.15
 14 5.16
 16 8.12
 16 8.13
 23 0.19
 20 9.15
 24 9.18
 71 0
 70 4
 105 .06
 85 .03
 76 9
 137 .07
 118 .94 119.95 120.96
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 156 .06
 135.95  136.95
 257 .26
 210 .06
 214 .22
 295 .23
 28.02  23.05
 459 .4
 395 .32
 0.07  0.0]
 63.01  62.0
226 .01
 161.05 166.12  168.14 171.03
6 .02
c N)
cc %10
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 15 3.13
 17 9.04
 17 8.14
 16 7.13
 23 8.19
 21 1.18
 20 1.1
 28 6.13
 45 .89
 36 2.15
 43 3.35
 38 9.18
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 68 .04
 102 .04
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 83 5
 76 .0
 77 .94
 90.95  92.55
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 109 .99
 139 .07
 187 .09
 257 .21
 180 .09
 105.94  106
 152 .06
 82.03  81.02
 325 .26
199.99  | [50
54 6.43
 183.12  185.13
 41.03 40 .02
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 92.55 99.07  101.04
 23.02 5.01 0.0 - 0.13
 174.15  174.16
 250.12 249.15  242.11 240.1 239.11
5 2
6 .62
 2 8.1
 6 4.11
 6 4.17
 15 0.1
 15 7.18
 17 3.11
 16 6.11
 20 2.17
 19 9.16
 24 3.17
 22 8.11
 58 8
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 129.1  156.15
 31 3.1
 56 4.44
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 79 9
 113 .06
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 104 .09
 153 .61
 138 .03
 118 .98
 147 .09
 140 .07
18 6.96
 257 .23
 233 .04
 146.06  146.08
 259 .21
 273 .23
 137.04 138.05  139.06
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174.16  | [51
 94.05 93 .05 92.04
 446 .36
 112.08 113.04  113.08
 -0.15 ]
 389.33  387.31
3 .26
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 17 9.11
 18 4.14
 16 1.14
 23 .06
 23 1.16
 21 7.18
 20 3.16
 24 8.18
 26 3.1
 22 1.15
 29 .03
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 49 .0 45.0
 79 7
 86.1  89
 78 .04
 0.0 -0 .08]
 -2 .0]
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 128.95  130.0
 156 .04
 271 .24
 27.9  23.02
 270 .28
 187.02  205.04
167.01  | [50
 67.01 65.03  64.04
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 82.06  82.05
 107.95 107 .96
 180.0  182.96 182.99
2 .85
3 .56
4 .92
P =O)[O-]
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 12 8.07
 15 7.12
 15 0.14
 14 5.13
 19 9.11
 19 1.14
 26 5.13
 26 2.16
 22 2.11
 27 6.17
 25 1.1
 30 0.13
 64 .95
)C =O)
 120 .06
 117 .05
 141 .6
 262 .22
 147 .96
 187 .05
 159.97  163.94 163.96
 73.09  73.05
 207 .09
 128.06  127.05
 282 .22
=CCC =CCC
 99.07 101.04  104.98
 357 .3
 117.96 118.94 118.97  119.98
 139.12  143.97 144.0
 401.33  399.31
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2 .28
 5 9.1
 33 1.11
 43 .05
 74 9
 125 .08
 55 .9
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 83 3
 171 .07
 103 .02
 80 .06
C) cc6
 166 .07
 102.97  104.98
 234.1  244.08 245.09
 301 .22
 127.05 126.04  123.06
 429 .35
 455 .37
 150.96  152.97
 374.28  373
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6 .07
6 .97
7 9
 2 3.12
 2 3.17
 11 5.14
 15 1.12
 16 4.1
 23 9.17
 21 2.09
 92.55  107.07
 19 0.1
 19 0.17
 22 5.1
 22 9.14
 27 3.19
 25 1.17
 56 .03
 101 .09
 128 .39
 146 .94
 89 .08
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.51 ]
 156.15  159
 177 .06
 80 9
 188 .02
CCO ))
0.15 ]
 145 .0
 210 .05
 217 .2 22
 196 .03
 99.09  103.12
 259 .22
 219 .07
 -0.0 -0 .09 -0.13
 92.55 96 .94
 439 .37
 306 .22
 361 .32
 151.08  151.1
 111.02 110.05 109.04  108.03 107.44
 487 .51
c=O) n
 0.0 -0.04  -0
 52.02  52.01
 250.09  262.09
 78.03 76.04 74.99 74.03  74.02
 412.32  430.33
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 111.02 110.05 109.04 109.01  107.44
2 .64
3 .63
 8 2.11
 10 2.57
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 17 .89
 17 3.09
 18 5.11
 23 3.1
 20 4.11
 22 8.14
 29 1.12
 84 .02
 70 8
 47 .97
 128 .97
 60 .0
 135 .07
 121 .01
 80 7
 110.05  105.05
 130.97  131.97 135.95 135.97
 217 .09
 196 .22
 64.02  59.01
 218 .08 21
 437 .35
 92.55 93 .06
 371 .23
 411 .35
 90.08 88.06  81.61 73.09 71.04
 263.13  261.15
 155.11  155.12
 173.03  174.03
=CCC=O) CCC
 187.03 187.06  188.03 188.07 200.07 201.04
195.99  | [51.94
2 .46
4 .25
C [NH+]
 2 3.16
 15 8.12
 17 0.14
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 20 3.12
 19 8.13
cccc nc6
 30 1.26
 32 0.13
 31 4.15
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 131 .05
 82 9
 106 .01
 75 .06
.75 ]
 121 .99
 103 .08
 84.08 86.1  86
 134 .01
 257 .09
 123.95  124.95 125.96
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 46.04  46.03 46.02
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 84.96  84.97
 437 .36
 477 .4
 410 .3
 339 .28
 167.97 ] | [103
 431 .34
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 532 .45
 79.01  78.0
 123.08 127.06 129.1  130.11
cc[nH] cccccc96
8 .38
N S=O)=O)
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 14 1.05
 14 0.16
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 17 2.16
 18 8.13
 16 2.08
 20 3.15
 92.55  101.07
 24 1.15
 25 3.17
 29 4.15
 33 2.16
 32 0.12
 32 9.13
.67 ]
 77 .07
 64.04  64.04
 190 .08
 145 .06
 153.96  155
 156 .07
 247 .05
 445 .34
 278 .22
 317 .27
 63.07  45.06
 0.08  0.0]
 142.12  145.1 147.12 149.13
 95.05 95.09  97.01
 177.98 182.99 183.08  183.11 183.15
 261.19  275.2
 85.1 87.04  89.06
 85.1 87.04  89.05 89.06
 51.99  51.01 50.99
CCOCncnccN) ncnc69)))))))))CO)C5O
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C cn
 12 1.11
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 13 8.13
 14 6.09
 26 9.17
 22 3.07
 46 .52
 107 .0
 69 .23
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 73 .02
 127 .02
 148 .06
 148 .61
 61 .09
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 87 .93
 113 .05
 110 .09
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 129 .82
 99 .01
 141 .97
 114 .05
 45.06  45.02
 123.08  125.96
 92.04  92.03
 157 .99
 215 .08
 189 .08
 189 .06
 0.0 - 0.18]
 265 .08
 12.0  11.99
 188.06  189.02 189.04
 434 .35
 72.93 72.94  73.95
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 528 .42
 156.15 157.1  159.12 161.13
 86.11  86.11
 5.01 4 .98
 245.15  247.17
0 .26
c %14
 15 9.1
 13 1.12
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 17 6.09
 18 6.17
 23 2.12
 21 8.16
 26 5.09
 25 5.15
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 31 1.1
 64 .09
 90 .06
 34 7.18
 74 .47
 57 .57
 81 .04
 82 5
 79 .99
cccccc6 Cl
 141 .01
 126 .08
 123.08  129.98
 94 .08
 182 .02
 95 .04
 84.08 85 .01
 164 .98
 134 .59
 69.02  69.01
 161 .02
 91.05  93.07 95.09
 203 .94
 317 .29
 146.11  134.11
 140.11  147.03 152.11
 461 .35
 161.05 171.03  189.04
 0.08  0.06
 57.93  51.04
 71.04 71.03  68.01 64.04
 415.34  413.33
 188.14  188.18
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 20 8.15
 22 4.16
 22 4.15
 22 8.17
 27 .05
 27 8.09
 30 5.17
 127 .58
 58.07  70
.64 ]
 79 4
 79 .45
 63 .02
 83 7
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] | [2 4
.76 ]
 84.08 86.1  89
 82.05  82.05
 162 .97
 172 .07
 134 .97
 92.55 92.55  101
 84.08 85.08 8 6.06
 204 .09
 170 .09
 217 .06
 179 .08
 261 .23
 55.94  58
 247 .07
 291 .28
 212 .07
 248 .2
 -6 0
 310 .22
 310 .31
 58.07 58 .94
199.99  | [51
 76.04 74.99  74.04 74.03
] | [16 8
 35.02 30.01  23.02
 92.01 90.03  89.02
 30.02  30.01
0 .07
3 .27
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 15 4.17
 17 .0
 17 5.12
 17 2.13
 17 5.13
 16 7.14
 21 1.12
 21 1.13
 19 8.12
 26 9.11
 22 4.13
O) C=O)
 29 5.15
 30 .99
 72 .09
 31 5.13
 81 0
 81 .96
 60 .07
 62 .03
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.45 ]
 76 6
 71.04  59.07
 75 .05
 0.0 -0 .06]
 136 .04
 119 .02
 127.06  137.04 138.05
 | [55 .02
 51.01  51.0
 112 .02
ccc OC))
 257 .2
 188.03  182.05
] | [12 2
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 105.94 106.98 107.95 108.96 111 .99
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 153.96 154.99 155.97  156.98 159.95 159.97
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 23 8.16
 21 2.15
 21 7.17
 21 9.17
 20 4.19
 19 9.09
 22 4.12
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 27 5.13
 25 2.18
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 40 7.19
 56 .95
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 108 .96 110
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 63 .06
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 129 .02
 100 .97
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 130.11  130.12 130.13
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 241 .28
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 305 .27
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 246.1 24 6.14
 125.04  127.06 129.1
 154.07  155.05
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 153.04  159.03
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 164.11  154.62
 154.12  156.14
 197.13 199.15  201.16 209.13
 216.09 218.07 234.1  246.05
 28.0 27 .98
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 70.96 71.93  72.93 72.94 73.95
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 27 7.1
 27 2.11
 29 9.09
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 85 7
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 104 .07
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 64.04  62.44
 118 .94 119.95
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 103.12  105.07 107.09
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 143 .06
 215 .9
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 185 .0
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 271 .21
 223 .65
 256 .08
 88.97 89.94 90.95  92.55 96.96
 69.99  69.02 68.02
 311 .25
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 174.11  174.15 174.16
 399 .35
 201.16 20 8.17
 94.05 93.01 92.04 91.03  86.02 85.02
 71.05  71.04
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 86.1 86.1  87.1
 142.97  143.97 144.0
 64.06  64.04
 246.1 291.16  317.14
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 271.11  273.09
 35.02 33.96 33.0 32 .96
 168.08  167.07
 441.36  439.34
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 155.16  155.14
 33.98  33.0
 110.05 105.05  103.44
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 22 7.13
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 28 3.14
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 107.95 108 .96 111
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 231 .09
 246 .08
 267 .22
 207 .05
 240 .07
 234.1  244.08
 83.06  84.08 85.08 86.1
 237 .06
 57.07  58
 123.95 125.0 125.96  125.97
 111.02  109.0
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 396 .32
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 307 .25
 463 .38
 184.11  196.11
 506 .37
 233.03 234.04 244.06  262.07
 156.15 157.1  157.15
 154.07 155.05 156.15  157.07
 76.04 75.03  74.03 70.03 69.02
 80.05  81.07
 246.1 247.1 248.09  257.17 259.18
 120.01 116.01 114.03  104.05 104.01 102.03
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 49.0 46.03 46.01 45.0  43.99 41.03 41.0
 151.07 150.07  149.06
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 69.0 68.01 67.99  66.98
 246.1 246.14  246.15
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 21 5.19
 20 5.1
 92.55  107
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 19 4.16
 19 1.11
 24 3.12
 26 4.15
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 28 1.15
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 45 .23
 41 .02
 41 1.17
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 32 7.28
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 84.08  84.96
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 130.97  130.98
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 69.99 69.02 68.01  67.98
 246.1 247.1  257.17 259.18
 146.06 148.04  158.02 158.06 160.04
 106.94  108.96 113.96 115.98
 424 .32
 146.96 148.97 148.98  153.96 158.95 158.96
 103.12 10 4.12 104.13
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 128.94  128.95 128.96
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 85.08 85.08 8 6.09 86.1
 198.16  196.15
 28.01  28.0
 149.05  167.06
 189.04 189 .05
 35.02 33.96 33.0 32 .99
 137.04 138.05 138.09 139.1  140.11 147.03 152.11
 132.97 132.98  133.97 135.99
 58.01 54.98  51.99 51.01 50.99
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 26 3.15
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 33 0.17
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 156.15  159.12 161.13
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 123.08  126.09
 98 .04
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 107.09  109.07
 95 .08
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 140 .09
 92.55 92.55  100
 72.08  73
 215 .22
 180 .08
 191 .5
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 179 .08 17
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 106.98 107.95 108 .96 113.96 114
 271 .23
 58.03  46.03 46.02
 252 .21 250.19
 287 .25 285
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 92.04 90 .02
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 101.07 103.12  103.13
 100.08  101.04
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 113.96 114 .97
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158.96  | [51
 355.26  356.27
 0.07  0.06
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 428 .35
 35.04  33.02
 54.03  36.02
 158.02  158.06
 123.08 124.95 125.96 130.97 131.97  136.95
 118.15  116.09
 104.03  103.03
 46.03 41.03 41.0  35.02 34.01 33.0 32.03
 460.33  453.88
 113.01  112.0
 260.1 259.11 258.09  258.09
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 210.06  210.09
 245.15 247.17  254.2
 262.0 262.01 262.03  262.07 262.12 262.13 262.15
 136.95 137.99  141.96 141.98
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 20 2.12
 20 0.19
 19 1.1
 19 3.11
 19 7.16
 24 7.14
 24 9.17
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 22 6.17
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 30 2.11
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 63 .98
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 234 .02
 190 .06
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 213.16  215.18
 339.27  357.28
 92.55 97 .08 99.09
 131.09 133.1 135.12  143.09 145.1 147.12
 177.98 182.99  183.11 183.15] | [12
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 84.08 84.09  85.08 86.1
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 92.55 92.56  93.07 95.09
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 141.96 141.98  147.97 148.98 149.98 150.96
 26.99 23.02 22.99 12.0  9.98
 59.09  59.07
 416.35  461.41
 105.94 106.98  106.99
 71.04 70.54  58.05
 131.95 131.97 132.96  136.95 137.96
 198.01  200.97
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 20 6.11
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 26 7.12
 26 5.19
 27 9.09
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 46 .2
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 39 4.17
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 90.95  92.55 95.05
 123.08  126.09 127.06
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 171.03  171.04
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 121.95  123.95 125.0 125.95 125.96
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 132.97  133.97 135.99
 72.04  72.05
 176.1  177.08
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 139.05  138.04
 278.15  278.11 276.1 272.16
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 385.33  383.32
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 168.0  172.98
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 103.12  111.09
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 199.99] | [14 9
 115.98  118.94 118.97
 157.1 159.12 161.13  163.11 163.15
 263.13  261.15 259.07 257.21 257.12
 225.2  234.1 244.08 245.09
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 186.96  186.98
 73.08 8 3.06
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 403.34  401.33 399.31
 181.95 181 .97
 108.96 109.1 113.96  127.09 127.12 131.97
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 294.11  292.09
 153.96 155 .96
 255.21 25 9.17
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 92.04  91
 116.1  116.09 116.09
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 128.95  131.97 135.95
 107.95 108 .96 113.96 114
 146.96  147.96
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 212.11  213.2
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 92.55 92 .98
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 180.04  174.14
 139.99  148.96
 72.93 72.94  74.95
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 150.09  150.13
 105.94 106.98 107.95 108.96 113.96 114 .09
 55.06  57.07
 156.15 157.1  159.12
 116.1 116 .08
 563 .43
 87.9 85.02  83.04
 100.01  102.51
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223.99  | [56.94
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 5.03 0.0 -0.09 -0.13  -12.98]
 335.28  333.26
 86.04 86.0 76.02  75.04
 58.07 59.06  59.07
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 18 9.12
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 23 3.16
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 19 6.18
 24 9.13
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 26 2.08
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 29 5.13
 33 6.11
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 207.14  206.04
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 100.08  100.08
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 129.09  129.1 130.11
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 146.06 148.04  158.06 160.04 172.04
25 8.27
 107.11  107.61
 177.02  177.04
 261.15 259.07 257.21 25 0.12
 278.07 291.16 292.16  293.15
 139.02 148.98  150.98
 88.97 89.94 90.94 90.95  90.98
 264.21  262.19
 425.36  423.35
 270.28  282.28
 105.07 100.04  99.04
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 26 3.18
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 105.07  106.07
 84.08 86.1  92.55 95.09
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 122 .0
 186 .02
 119.09  119
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 161.13  163.15
 127.05  127.06
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 71.93 72.94  76.93
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 138.99  139.08
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 129.09  129.1 129.11 130.11
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 516 .42
 130.15  129.13
 54.98  52.48
 204.03  201.15
 107.05  108.06
 394.31  412.32 430.33
 82.05 82.03  78.06 77.05
 89.94 90.95 92.55  101.11
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 16.03  15.02
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 92.55 92.95 93.96 98.96 99.97  102.96 110.96 114
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 130.11 130.12 130.13  130.13
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 287.25 285 .23
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 58.07  71.06
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 110.05  110.04
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 246.1  257.17
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 128.95  131.97 135.95 135.97
 180 .59
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 105.94  107.95 108.96 113
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 234.1  246.07
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182.99  | [53
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 102.95  102.96 102.97
 109.07  114.07
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 87.03 86.02  82.03
 139.09  141.1
 254.2  255.21
 293.15  294.15
 562 .46
 101.04 103.12  104.98
 546.43 ] | [49
 59.91 58.03 57.02  52.02 51.01
 117.06  118.07
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 141.95  141.96
 133.46 133.06 132.06  127.05 126.04 123.06
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 26 9.1
 26 9.13
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 25 1.19
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 28 7.11
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 71.04  71.01
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 137.04  138.09
 181 .09
 269 .24
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 0.0 - 6
 146.06  148.08
 70.07  72.93 72.94
 64.02  61.95
 227 .21
 185 .99
 261 .07
 261 .96
 168 .04
 265 .02
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 276 .07
 192 .07
 327 .29
 248 .21
 294 .24
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 104.98 105.07  106.08
 300 .67
 415 .28
 315 .29
 341 .02
 443 .33
 88.06  88.06
ccc6 c%10
 457 .35
 387 .35
 12.0  10.0 9.98
 86.1 92.55  101.07 103.12
 170.17  171.17
 503 .39
171.99  | [51
 123.07  123.08
 456 .37
 125.99 138.99  143.97 144.0
 27.99  27.9
=O)NCC =O)NCC
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 53.03 51.02 51.01  46.03 41.04 41.03
 64.06  64.05 64.04
 538 .4
 86.04  86.0
 49.04  48
 161.05 168.14 171.03 174.16 180.14 182.15  188.06 189.04
 100.05  100.02
 243.14 239.2  239.11
 146.11 144.13 128.1  116.15
 455.37  453.36
 75.01 74.03  74.0
P=O)O)OP=O)O)OCCOCncnccN)ncnc69)))))))))CO)C5O P=O)O)O
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 9 5.1
 8 2.15
 12 0.12
 10 .02
 18 4.16
 18 2.19
 16 1.11
 23 2.1
 23 9.16
 21 2.1
 21 8.1
 21 5.11
 20 9.14
 19 1.13
 24 2.15
 24 0.19
 26 5.1
 26 4.17
 22 3.12
 22 0.13
 22 6.11
 25 0.1
 25 1.05
 25 3.09
 28 .04
cccc [N+]=O)[O-]))
 29 8.1
 84 9
 30 3.11
 58 .09
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 33 6.1
 32 4.99
 51 .98 51.01 50
 123 .0
 43 .97
 70 .08
 108 .05
 60 .01
 65 .02
 110 .03
 104 .02
 66 .07
 129 .64
 100 .57
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 150 .05
 147 .02
 94 .89
 5.01  -0
 110.05  107
 216 .2
NCC O)
 171.03  172.03
 205 .08
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 221 .07
 179 .99
 159.97  171.99
 268 .2 26
 105.07 107.09 109.1  115.08
 303 .25
174.16  | [54
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182.99  | [54
 -7 9
 343 .28
 331 .28
] | [7 0
199.99  | [5
 117.96 118 .97
 109.07  109.1
 185.13 187.15  189.16 193.12 195.14
 449 .35
 497 .2
 495 .27
 187.03  189.04
 221.59  221.59
 607 .48
 492 .36
 257.21 25 0.12
 174.99  177.96
 46.04 46.03 41.03  28.02
 90.08 88.06 81.61  81.61
 162.14  160.12
=CCC=O) C=CC6C)C%10
] | [131 .02
 215.05  216.03 216.07
 123.95 124 .98
 79.45  79.44
 263.2  275.2
cccccc6C%10 =O
 45.23  45.14
 201.07 20 1.1
  0.17
 11 3.13
 13 1.14
 14 6.14
 23 .22
 24 2.12
 24 7.19
 22 .97
 22 5.09
 22 5.19
 27 9.1
 27 2.08
 25 5.18
 71 .25
 71 .54
 46 3.12
 58 .55
 32 6.1
 34 5.17
 44 .86
 43 .01
 40 .04
 38 8.1
 42 .03
 42 1.13
 55 3.17
CCC =O)N
 85 9
 85 .99
 65 .06
 65 .21
 120 .07
 113 .57
 135 .43
 129 .81
 153 .98
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 80 .5
 144 .96
Cl )Cl
 132 .02
 95 .95
 112 .07
 140 .6
 72.08  7
 163 .06
 204 .04
 146.06  146.07
 217 .2 21
 291.16  291.19
 179 .6
 261 .2
 235 .05
 213 .22
 173.13  175.11 175.15 177.13
 201.16  201.15
 59.9  57.02
 266 .23
 56.94  57
 228 .03
 305 .82
 281 .24
 293 .22
 286 .06
 313 .22
 102.12  100.1
 92.55 97 .08
 321 .23
.96 116 .97 117.98
 377 .31
 338 .26
 74.03 69.02  67.01 65.03 64.04 64.02
 185.13 187.15  189.13
 451 .38
 92.55 92 .95
 120.97 120.98  120.99
 495 .4
 495 .41
 436 .37
c=O) n6
171.99  | [50
 186.16  184.15
 117.96  121.95 123.95 125.0 125.96 125.97
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 59.9 58.03 57.02  52.02 51.01 51.0
 508 .39
 154.12  155.05
 153.96 154 .97 154.99 155.08 155.97
 78.97  79.06 81.07
 267.17  269.19
 382.31  400.32
 149.04  167.06
 72.07  71.07
 133.08  133.09
 52.04  51.03
 224.18  222.16
 90.95 91.0  92.55 95.09
 550.63 ] | [49
 244.04  244.06
 92.01 91.03 87.04  86.02
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 15 7.11
 14 3.18
 18 2.1
 18 0.16
 16 4.13
 16 5.12
 16 5.16
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 23 3.18
 21 1.17
 20 9.09
 19 7.11
 24 2.1
 24 5.14
 26 0.12
 26 5.17
 26 7.16
 22 3.17
 25 2.11
 28 3.15
 28 9.16
 29 .95
 45 .9
 41 2.09
 30 5.13
 30 7.14
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 129.1  136
 70 .85
 42 .02
 68 .98
 58.07  70.07
 54 .82
 62 .05
 111 .01
 63 .93
)))))))) )))))))C
 103 .47
 72.94  75
 116 .6
 167 .01 167
 114 .99
 103.12  103.12
 82.05  80
 96 .92
 | [51 .02
 151 .02
 151 .94
 123.09  124
 161 .09
18 9.04
 92.55 93.07 95.09  97.1
 196 .05
 226 .2
 218 .87
 259 .29
 283 .25
NC=O) CC
NC=O) CN
 256 .07
O=C cccccc6
F) c
F) c6
 242 .26
 105.07 107.09 109.1  114.09
 238 .02
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 281 .22
 53.03 51 .98
 69.02 68.01  64.04 64.02
 292 .2
 -7 0
 51.01 50 .0 45.0
 138.99  143.97 144.0
28 4.05
 288 .21
56 4.44
 323.13  32
 329 .3
 212.11 214.13  221.01
=CCCC C=O)O
 111.08  111.12
 473 .29
 171.12 173.13  175.15
 111.09 11 1.1
 141.0  143.96
 154.1  155.08
 462.35  455.89
 633 .5
 78.97  79.05 81.07
 566 .42
 123.09 123.1  123.1
 291.16 292.16  293.15
 267.0 268.98  281.05 283.03 285.01
550 .23
 72.92 68.89 64.04  62.44
 163.04 164.04  168.14 169.14
CCCO) CCO
 211.15 215.18  217.2 221.15
 218.08 21 9.09
 411.35  409.33
 158.12  158.15
 225.15 224.14 224.1 223.09  222.09
O=PO) O)O
1 .91
2 .01
7 .24
n 9
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 12 6.13
 6 7.12
 6 9.19
 10 2.14
 10 8.13
 11 7.14
 13 4.14
 18 8.1
 23 4.14
 23 7.14
 21 3.18
 24 1.1
 24 8.1
 24 3.15
 24 2.13
 26 0.14
 22 0.15
 22 2.17
 22 2.18
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 27 5.12
 25 4.16
 25 0.13
 25 3.16
 28 7.13
 28 8.15
 28 0.17
 29 1.1
 45 2.14
 30 .98
 30 7.11
 30 6.18
.21  33
 129.1  132
 31 0.16
 36 3.19
 51 .05
 44 .98
 37 .03
 70 .09
 38 3.14
 101 .97
 53 3.18
 49 .98