0 mol 89 unq 0 iso 0 dist 8.25651 7.94744 6.36021 5.87704 5.51831 3.30729 numMergedOcc 0
1 mol 117 unq 0 iso 0 dist 9.41387 10.6263 7.70533 5.63489 6.10127 6.66127 numMergedOcc 0
2 mol 119 unq 0 iso 0 dist 8.59784 6.69727 9.42766 13.4766 7.64052 16.57 numMergedOcc 0
3 mol 122 unq 0 iso 0 dist 5.09114 12.2043 8.33083 6.11558 6.00603 12.2162 numMergedOcc 0
4 mol 141 unq 0 iso 0 dist 4.93035 3.71857 6.42756 6.48796 8.07097 10.189 numMergedOcc 0
5 mol 186 unq 0 iso 0 dist 5.63906 9.72967 7.66381 7.80781 7.2793 6.01218 numMergedOcc 0
6 mol 186 unq 1 iso 0 dist 5.63906 9.72967 7.66381 9.18057 9.51091 5.27656 numMergedOcc 0
7 mol 186 unq 2 iso 0 dist 5.63906 9.72967 7.66381 5.12552 7.85184 13.9441 numMergedOcc 0
8 mol 213 unq 0 iso 0 dist 6.82881 10.3239 4.58599 5.6182 8.22569 9.45322 numMergedOcc 0
9 mol 213 unq 1 iso 0 dist 6.82881 11.0972 8.78568 5.6182 8.22569 6.81831 numMergedOcc 0
10 mol 214 unq 0 iso 0 dist 6.83122 12.2514 8.49704 12.8946 7.46481 4.112 numMergedOcc 0
11 mol 238 unq 0 iso 0 dist 7.13194 8.83643 9.31417 13.1414 9.72188 13.338 numMergedOcc 0
12 mol 238 unq 1 iso 0 dist 7.13194 4.55701 5.56719 13.1414 9.72188 12.046 numMergedOcc 0
13 mol 238 unq 2 iso 0 dist 7.80166 11.1397 9.31417 6.10342 9.72188 13.338 numMergedOcc 0
14 mol 238 unq 3 iso 0 dist 7.80166 8.53461 5.56719 6.10342 9.72188 12.046 numMergedOcc 0
15 mol 259 unq 0 iso 0 dist 9.47382 12.8835 7.93997 11.8307 5.85442 7.06301 numMergedOcc 0
16 mol 259 unq 1 iso 0 dist 9.47382 12.8835 7.93997 9.41512 6.95511 7.80863 numMergedOcc 0
