0 mol 26 unq 0 iso 0 dist 6.88695 9.97117 7.23546 9.63803 8.25132 14.2987 5.3315 8.34347 6.73162 13.6027 numMergedOcc 0
1 mol 115 unq 0 iso 0 dist 6.48328 5.58063 4.51489 8.42219 8.14031 5.65471 5.24961 9.55515 7.64585 6.39384 numMergedOcc 0
2 mol 117 unq 0 iso 0 dist 6.90827 9.58171 4.91401 6.78655 3.55765 5.56883 10.4485 7.90328 6.62561 10.4223 numMergedOcc 0
3 mol 117 unq 1 iso 0 dist 6.90827 9.58171 4.91401 6.78655 3.55765 5.56883 5.27151 7.83136 7.63616 8.19331 numMergedOcc 0
4 mol 131 unq 0 iso 0 dist 6.31125 9.90096 6.19596 9.10434 3.98662 9.23774 4.29914 7.12972 8.6243 10.0551 numMergedOcc 0
5 mol 131 unq 1 iso 0 dist 6.31125 9.90096 6.19596 9.10434 3.98662 9.23774 5.59449 6.85062 6.91348 10.7579 numMergedOcc 0
6 mol 155 unq 0 iso 0 dist 4.44292 7.62575 5.40375 7.25009 7.10286 4.48516 14.7279 13.5605 9.86313 12.9034 numMergedOcc 0
7 mol 155 unq 1 iso 0 dist 4.44292 7.62575 5.40375 7.25009 7.10286 4.48516 10.4606 10.7829 7.51198 8.97626 numMergedOcc 0
8 mol 222 unq 0 iso 0 dist 7.85877 7.35476 12.2813 8.86886 8.34852 13.6834 4.82768 7.21333 6.82208 12.0171 numMergedOcc 0
9 mol 227 unq 0 iso 0 dist 9.07872 8.82471 16.8875 7.90991 13.2135 12.1785 10.9746 16.3967 5.86443 15.5758 numMergedOcc 0
10 mol 238 unq 0 iso 0 dist 8.59074 9.46582 13.7993 8.56975 7.06793 9.75095 9.23693 14.6111 7.67322 9.12776 numMergedOcc 0
11 mol 238 unq 1 iso 0 dist 8.59074 9.77231 13.069 8.56975 7.06793 11.7938 15.3161 12.8711 9.68513 11.1002 numMergedOcc 0
12 mol 238 unq 2 iso 0 dist 8.59074 9.77231 13.069 8.56975 7.06793 11.7938 9.18011 5.72887 9.29858 9.72188 numMergedOcc 0
13 mol 259 unq 0 iso 0 dist 9.12507 8.46351 5.32839 4.95855 7.09907 4.61451 5.59901 5.30224 7.76676 6.9899 numMergedOcc 0
14 mol 259 unq 1 iso 0 dist 9.12507 8.46351 5.32839 7.72489 9.71793 5.56602 5.59901 5.30224 7.76676 10.4017 numMergedOcc 0
15 mol 274 unq 0 iso 0 dist 6.55855 8.62431 14.168 4.97796 8.87855 5.70568 4.56913 10.7806 6.50589 6.4611 numMergedOcc 0
16 mol 274 unq 1 iso 0 dist 9.52894 8.62431 17.7203 4.97796 13.0867 5.70568 4.56913 13.5896 6.50589 6.4611 numMergedOcc 0
