0 mol 18 unq 0 iso 0 dist 8.24155 8.95573 12.2849 8.1133 6.03635 13.1509 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.24155 8.95573 12.2849 8.44727 11.6577 5.69024 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 9.69923 9.46609 10.24 6.72469 9.8551 5.6999 numMergedOcc 0
3 mol 70 unq 0 iso 0 dist 7.68652 8.06918 14.4842 8.63204 9.91799 15.7824 numMergedOcc 0
4 mol 70 unq 1 iso 0 dist 7.68652 8.06918 14.4842 5.4014 9.70034 12.3616 numMergedOcc 0
5 mol 70 unq 2 iso 0 dist 7.68652 7.52623 14.7467 8.63204 9.91799 13.3187 numMergedOcc 0
6 mol 70 unq 3 iso 0 dist 7.68652 7.52623 14.7467 5.4014 9.70034 10.3115 numMergedOcc 0
7 mol 70 unq 4 iso 0 dist 7.68652 5.62294 5.93792 8.63204 9.91799 4.77578 numMergedOcc 0
8 mol 70 unq 5 iso 0 dist 7.68652 5.62294 5.93792 5.4014 9.70034 4.14483 numMergedOcc 0
9 mol 122 unq 0 iso 0 dist 9.71402 9.55337 7.82677 6.91978 8.45525 6.08654 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 9.16832 5.98435 12.7653 7.96353 9.0142 13.6552 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 9.16832 8.80672 12.6285 7.96353 9.0142 4.44936 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 7.24761 5.85439 7.66936 8.81097 4.16734 6.05921 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 6.23909 6.37411 5.33564 9.71147 6.57794 11.7202 numMergedOcc 0
14 mol 205 unq 1 iso 0 dist 6.23909 6.37411 5.33564 6.32553 7.41929 9.116 numMergedOcc 0
15 mol 206 unq 0 iso 0 dist 8.90925 8.65687 7.73153 9.36144 10.8634 3.99908 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 7.94402 7.54327 10.1743 8.56943 14.127 6.00588 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 7.35597 9.07397 5.30958 9.3672 7.82078 9.32851 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 7.35597 6.19297 6.2139 9.3672 7.82078 4.40419 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 8.69185 6.29389 11.0486 8.19223 13.1645 12.7207 numMergedOcc 0
20 mol 260 unq 1 iso 0 dist 8.69185 8.04372 13.8826 8.19223 13.1645 3.83954 numMergedOcc 0
