0 mol 21 unq 0 iso 0 dist 7.38586 13.5547 6.93185 11.4449 4.20216 5.63735 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 7.38586 13.5547 6.93185 9.97042 4.28381 6.28263 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 6.59367 8.68242 6.42834 11.959 9.95354 6.21128 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 9.57238 8.76497 6.61977 13.8641 7.09057 5.96231 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 9.46217 9.89377 7.46994 10.4652 4.50442 8.60069 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 6.0026 5.70312 6.0652 9.95261 4.22932 7.81446 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 6.0026 5.70312 6.0652 9.23569 6.13211 6.55173 numMergedOcc 0
7 mol 105 unq 0 iso 0 dist 9.3724 8.65154 5.03173 9.9108 4.67929 7.77089 numMergedOcc 0
8 mol 128 unq 0 iso 0 dist 9.11128 13.0031 6.98158 15.9374 7.201 9.59437 numMergedOcc 0
9 mol 135 unq 0 iso 0 dist 8.6132 6.32401 7.12936 12.7616 7.43379 7.17599 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 9.84953 10.811 6.97487 9.5233 5.43382 5.06564 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 8.54318 11.765 9.0529 18.8311 12.0485 9.24038 numMergedOcc 0
12 mol 159 unq 0 iso 0 dist 9.2256 5.48097 8.52082 14.2032 10.5255 9.35202 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 7.77669 10.3139 6.26365 11.0748 4.45276 8.81244 numMergedOcc 0
14 mol 273 unq 0 iso 0 dist 6.59786 7.10817 8.68913 8.66133 8.0478 7.85836 numMergedOcc 0
15 mol 273 unq 1 iso 0 dist 6.59786 7.10817 8.68913 10.7274 10.9311 6.35532 numMergedOcc 0
16 mol 273 unq 2 iso 0 dist 7.96519 4.30863 8.85779 6.95569 4.42663 5.61969 numMergedOcc 0
17 mol 282 unq 0 iso 0 dist 7.10557 5.61995 6.8972 6.00439 5.77779 9.38222 numMergedOcc 0
