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1 mol 15 unq 0 iso 1 dist 7.12903 9.03536 8.21493 5.55659 8.96967 5.01321 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 7.06308 5.24762 6.34173 9.01651 8.59109 6.89191 numMergedOcc 0
3 mol 45 unq 0 iso 1 dist 6.34173 5.24762 7.06308 6.89191 8.59109 9.01651 numMergedOcc 0
4 mol 45 unq 1 iso 0 dist 7.06308 5.48601 9.43442 9.01651 8.59109 5.54436 numMergedOcc 0
5 mol 45 unq 1 iso 1 dist 9.43442 5.48601 7.06308 5.54436 8.59109 9.01651 numMergedOcc 0
6 mol 45 unq 1 iso 0 dist 6.34173 5.101 9.43442 6.89191 8.59109 5.54436 numMergedOcc 0
7 mol 45 unq 1 iso 1 dist 9.43442 5.101 6.34173 5.54436 8.59109 6.89191 numMergedOcc 0
8 mol 45 unq 2 iso 0 dist 6.99408 6.11102 9.3403 7.39653 8.13782 10.6095 numMergedOcc 0
9 mol 45 unq 2 iso 1 dist 9.3403 6.11102 6.99408 10.6095 8.13782 7.39653 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 9.33535 7.08557 8.26899 6.78077 8.80108 6.75888 numMergedOcc 0
11 mol 58 unq 0 iso 1 dist 8.26899 7.08557 9.33535 6.75888 8.80108 6.78077 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 6.40841 11.0466 7.58407 4.55117 8.80108 14.7581 numMergedOcc 0
13 mol 58 unq 1 iso 1 dist 7.58407 11.0466 6.40841 14.7581 8.80108 4.55117 numMergedOcc 0
14 mol 58 unq 2 iso 0 dist 6.40841 11.0466 7.58407 5.64209 6.50297 8.74789 numMergedOcc 0
15 mol 58 unq 2 iso 1 dist 7.58407 11.0466 6.40841 8.74789 6.50297 5.64209 numMergedOcc 0
16 mol 58 unq 3 iso 0 dist 6.40841 5.90225 6.31428 4.55117 8.80108 10.3782 numMergedOcc 0
17 mol 58 unq 3 iso 1 dist 6.31428 5.90225 6.40841 10.3782 8.80108 4.55117 numMergedOcc 0
18 mol 58 unq 4 iso 0 dist 6.40841 5.90225 6.31428 5.64209 6.50297 7.02095 numMergedOcc 0
19 mol 58 unq 4 iso 1 dist 6.31428 5.90225 6.40841 7.02095 6.50297 5.64209 numMergedOcc 0
20 mol 58 unq 5 iso 0 dist 8.63333 5.35073 8.89374 10.6476 6.96494 12.7331 numMergedOcc 0
21 mol 58 unq 5 iso 1 dist 8.89374 5.35073 8.63333 12.7331 6.96494 10.6476 numMergedOcc 0
22 mol 58 unq 6 iso 0 dist 8.63333 5.35073 8.89374 5.92889 7.01363 7.05413 numMergedOcc 0
23 mol 58 unq 6 iso 1 dist 8.89374 5.35073 8.63333 7.05413 7.01363 5.92889 numMergedOcc 0
24 mol 58 unq 7 iso 0 dist 8.63333 10.8153 6.46761 10.6476 6.96494 8.74789 numMergedOcc 0
25 mol 58 unq 7 iso 1 dist 6.46761 10.8153 8.63333 8.74789 6.96494 10.6476 numMergedOcc 0
26 mol 58 unq 8 iso 0 dist 8.63333 10.8153 6.46761 5.92889 7.01363 6.61756 numMergedOcc 0
27 mol 58 unq 8 iso 1 dist 6.46761 10.8153 8.63333 6.61756 7.01363 5.92889 numMergedOcc 0
28 mol 58 unq 9 iso 0 dist 8.63333 14.5953 9.73139 10.6476 6.96494 7.02095 numMergedOcc 0
29 mol 58 unq 9 iso 1 dist 9.73139 14.5953 8.63333 7.02095 6.96494 10.6476 numMergedOcc 0
30 mol 58 unq 10 iso 0 dist 8.63333 14.5953 9.73139 5.92889 7.01363 8.94672 numMergedOcc 0
31 mol 58 unq 10 iso 1 dist 9.73139 14.5953 8.63333 8.94672 7.01363 5.92889 numMergedOcc 0
32 mol 58 unq 7 iso 0 dist 8.89374 8.62958 6.46761 12.7331 6.96494 8.74789 numMergedOcc 0
33 mol 58 unq 7 iso 1 dist 6.46761 8.62958 8.89374 8.74789 6.96494 12.7331 numMergedOcc 0
34 mol 58 unq 8 iso 0 dist 8.89374 8.62958 6.46761 7.05413 7.01363 6.61756 numMergedOcc 0
35 mol 58 unq 8 iso 1 dist 6.46761 8.62958 8.89374 6.61756 7.01363 7.05413 numMergedOcc 0
36 mol 58 unq 9 iso 0 dist 8.89374 14.176 9.73139 12.7331 6.96494 7.02095 numMergedOcc 0
37 mol 58 unq 9 iso 1 dist 9.73139 14.176 8.89374 7.02095 6.96494 12.7331 numMergedOcc 0
38 mol 58 unq 10 iso 0 dist 8.89374 14.176 9.73139 7.05413 7.01363 8.94672 numMergedOcc 0
39 mol 58 unq 10 iso 1 dist 9.73139 14.176 8.89374 8.94672 7.01363 7.05413 numMergedOcc 0
40 mol 58 unq 9 iso 0 dist 6.46761 6.47414 9.73139 8.74789 6.96494 7.02095 numMergedOcc 0
41 mol 58 unq 9 iso 1 dist 9.73139 6.47414 6.46761 7.02095 6.96494 8.74789 numMergedOcc 0
42 mol 58 unq 10 iso 0 dist 6.46761 6.47414 9.73139 6.61756 7.01363 8.94672 numMergedOcc 0
43 mol 58 unq 10 iso 1 dist 9.73139 6.47414 6.46761 8.94672 7.01363 6.61756 numMergedOcc 0
44 mol 58 unq 3 iso 0 dist 7.58407 6.47414 6.31428 14.7581 8.80108 10.3782 numMergedOcc 0
45 mol 58 unq 3 iso 1 dist 6.31428 6.47414 7.58407 10.3782 8.80108 14.7581 numMergedOcc 0
46 mol 58 unq 4 iso 0 dist 7.58407 6.47414 6.31428 8.74789 6.50297 7.02095 numMergedOcc 0
47 mol 58 unq 4 iso 1 dist 6.31428 6.47414 7.58407 7.02095 6.50297 8.74789 numMergedOcc 0
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49 mol 64 unq 0 iso 1 dist 9.54144 10.6748 8.68586 5.68303 8.4517 5.35421 numMergedOcc 0
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51 mol 72 unq 0 iso 1 dist 6.77912 5.36766 8.624 9.0131 9.19459 6.00418 numMergedOcc 0
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53 mol 114 unq 0 iso 1 dist 7.52743 5.59517 8.71128 5.33327 7.36816 9.2907 numMergedOcc 0
54 mol 114 unq 1 iso 0 dist 8.68821 8.66412 7.12609 4.77056 7.36816 5.31865 numMergedOcc 0
55 mol 114 unq 1 iso 1 dist 7.12609 8.66412 8.68821 5.31865 7.36816 4.77056 numMergedOcc 0
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57 mol 127 unq 0 iso 1 dist 7.69308 5.30124 6.192 6.85862 6.3244 8.00931 numMergedOcc 0
58 mol 127 unq 1 iso 0 dist 6.192 11.279 8.59981 8.00931 6.3244 4.77464 numMergedOcc 0
59 mol 127 unq 1 iso 1 dist 8.59981 11.279 6.192 4.77464 6.3244 8.00931 numMergedOcc 0
60 mol 127 unq 2 iso 0 dist 6.192 8.77327 7.66331 8.00931 6.3244 7.11695 numMergedOcc 0
61 mol 127 unq 2 iso 1 dist 7.66331 8.77327 6.192 7.11695 6.3244 8.00931 numMergedOcc 0
62 mol 127 unq 1 iso 0 dist 7.69308 11.4958 8.59981 6.85862 6.3244 4.77464 numMergedOcc 0
63 mol 127 unq 1 iso 1 dist 8.59981 11.4958 7.69308 4.77464 6.3244 6.85862 numMergedOcc 0
64 mol 127 unq 2 iso 0 dist 7.69308 11.521 7.66331 6.85862 6.3244 7.11695 numMergedOcc 0
65 mol 127 unq 2 iso 1 dist 7.66331 11.521 7.69308 7.11695 6.3244 6.85862 numMergedOcc 0
66 mol 127 unq 2 iso 0 dist 8.59981 5.55757 7.66331 4.77464 6.3244 7.11695 numMergedOcc 0
67 mol 127 unq 2 iso 1 dist 7.66331 5.55757 8.59981 7.11695 6.3244 4.77464 numMergedOcc 0
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69 mol 134 unq 0 iso 1 dist 7.77454 7.93571 8.94837 10.7186 6.4218 5.9915 numMergedOcc 0
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85 mol 155 unq 3 iso 1 dist 9.14392 5.71071 7.16254 9.99927 8.73171 10.7896 numMergedOcc 0
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87 mol 155 unq 4 iso 1 dist 7.51198 5.71071 9.86313 8.27726 7.37901 13.5062 numMergedOcc 0
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89 mol 155 unq 5 iso 1 dist 7.36102 10.7616 7.39644 6.34186 7.37901 5.40375 numMergedOcc 0
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91 mol 155 unq 6 iso 1 dist 7.68368 4.66274 8.27111 5.77564 8.73171 5.48883 numMergedOcc 0
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100 mol 173 unq 1 iso 0 dist 7.93331 5.16343 8.31897 13.3053 9.79554 14.2537 numMergedOcc 0
101 mol 173 unq 1 iso 1 dist 8.31897 5.16343 7.93331 14.2537 9.79554 13.3053 numMergedOcc 0
102 mol 173 unq 1 iso 0 dist 6.98095 8.17887 8.31897 8.94065 9.79554 14.2537 numMergedOcc 0
103 mol 173 unq 1 iso 1 dist 8.31897 8.17887 6.98095 14.2537 9.79554 8.94065 numMergedOcc 0
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107 mol 194 unq 0 iso 1 dist 9.57538 8.2172 6.95408 8.89656 6.41318 7.11879 numMergedOcc 0
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109 mol 194 unq 1 iso 1 dist 9.2285 10.5623 6.95408 7.8502 6.41318 7.11879 numMergedOcc 0
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111 mol 194 unq 2 iso 1 dist 7.58278 11.7618 6.95408 7.82648 6.41318 7.11879 numMergedOcc 0
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119 mol 213 unq 0 iso 1 dist 9.59129 13.7995 8.45368 12.2579 8.74171 11.1059 numMergedOcc 0
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127 mol 227 unq 0 iso 1 dist 6.95902 5.22356 8.17891 8.8709 7.95168 13.3557 numMergedOcc 0
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129 mol 228 unq 0 iso 1 dist 8.38048 5.43096 8.06181 6.5952 8.37287 4.81881 numMergedOcc 0
130 mol 228 unq 1 iso 0 dist 8.06181 11.1899 7.65132 4.81881 8.37287 11.1604 numMergedOcc 0
131 mol 228 unq 1 iso 1 dist 7.65132 11.1899 8.06181 11.1604 8.37287 4.81881 numMergedOcc 0
132 mol 228 unq 2 iso 0 dist 8.06181 5.93014 8.53764 4.81881 8.37287 10.1917 numMergedOcc 0
133 mol 228 unq 2 iso 1 dist 8.53764 5.93014 8.06181 10.1917 8.37287 4.81881 numMergedOcc 0
134 mol 228 unq 1 iso 0 dist 8.38048 7.09673 7.65132 6.5952 8.37287 11.1604 numMergedOcc 0
135 mol 228 unq 1 iso 1 dist 7.65132 7.09673 8.38048 11.1604 8.37287 6.5952 numMergedOcc 0
136 mol 228 unq 2 iso 0 dist 8.38048 6.61579 8.53764 6.5952 8.37287 10.1917 numMergedOcc 0
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139 mol 228 unq 2 iso 1 dist 8.53764 10.2985 7.65132 10.1917 8.37287 11.1604 numMergedOcc 0
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141 mol 228 unq 3 iso 1 dist 8.20909 5.42695 7.77367 6.53802 8.07174 4.75417 numMergedOcc 0
142 mol 228 unq 4 iso 0 dist 7.77367 11.3702 7.94506 4.75417 8.07174 11.0908 numMergedOcc 0
143 mol 228 unq 4 iso 1 dist 7.94506 11.3702 7.77367 11.0908 8.07174 4.75417 numMergedOcc 0
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146 mol 228 unq 4 iso 0 dist 8.20909 7.22215 7.94506 6.53802 8.07174 11.0908 numMergedOcc 0
147 mol 228 unq 4 iso 1 dist 7.94506 7.22215 8.20909 11.0908 8.07174 6.53802 numMergedOcc 0
148 mol 228 unq 5 iso 0 dist 8.20909 6.44695 8.15494 6.53802 8.07174 10.0837 numMergedOcc 0
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151 mol 228 unq 5 iso 1 dist 8.15494 10.3635 7.94506 10.0837 8.07174 11.0908 numMergedOcc 0
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158 mol 238 unq 2 iso 0 dist 8.14172 5.31152 6.77463 5.68826 6.00721 4.87097 numMergedOcc 0
159 mol 238 unq 2 iso 1 dist 6.77463 5.31152 8.14172 4.87097 6.00721 5.68826 numMergedOcc 0
160 mol 238 unq 3 iso 0 dist 7.49471 5.34096 7.19008 12.1252 6.17025 8.82861 numMergedOcc 0
161 mol 238 unq 3 iso 1 dist 7.19008 5.34096 7.49471 8.82861 6.17025 12.1252 numMergedOcc 0
