0 mol 26 unq 0 iso 0 dist 5.97065 7.54726 8.62693 8.4126 7.84204 14.8978 numMergedOcc 0
1 mol 95 unq 0 iso 0 dist 9.40904 5.88138 6.64631 16.8981 9.51981 12.1081 numMergedOcc 0
2 mol 95 unq 1 iso 0 dist 6.47401 5.73392 6.64631 15.3626 9.51981 12.1081 numMergedOcc 0
3 mol 113 unq 0 iso 0 dist 8.94447 12.8097 5.44714 4.8668 5.45882 8.67805 numMergedOcc 0
4 mol 113 unq 1 iso 0 dist 8.94447 12.8097 5.44714 8.60367 4.57487 6.03962 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 9.6785 4.73128 9.78437 8.14095 5.96977 5.40104 numMergedOcc 0
6 mol 154 unq 0 iso 0 dist 5.81632 5.32921 8.46844 5.71332 5.97134 3.47453 numMergedOcc 0
7 mol 187 unq 0 iso 0 dist 9.25105 10.2744 8.26654 9.53252 9.87719 3.86201 numMergedOcc 0
8 mol 197 unq 0 iso 0 dist 6.58245 11.5081 8.32685 4.05539 9.6071 11.8425 numMergedOcc 0
9 mol 197 unq 1 iso 0 dist 6.58245 11.5081 8.32685 9.33865 9.77656 12.2163 numMergedOcc 0
10 mol 197 unq 2 iso 0 dist 6.58245 11.8158 6.74777 4.05539 9.6071 13.1467 numMergedOcc 0
11 mol 197 unq 3 iso 0 dist 6.58245 11.8158 6.74777 9.33865 9.77656 10.0045 numMergedOcc 0
12 mol 197 unq 4 iso 0 dist 6.58245 14.0335 9.62514 4.05539 9.6071 15.1287 numMergedOcc 0
13 mol 197 unq 5 iso 0 dist 6.58245 14.0335 9.62514 9.33865 9.77656 8.82321 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 6.37411 5.82036 7.31632 12.0078 9.81165 9.74857 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 6.37411 5.82036 7.31632 8.82295 7.8423 3.58452 numMergedOcc 0
16 mol 205 unq 2 iso 0 dist 6.37411 5.82036 7.31632 3.30102 7.74029 5.83113 numMergedOcc 0
17 mol 212 unq 0 iso 0 dist 6.11919 5.23162 9.15316 5.18947 6.07371 8.689 numMergedOcc 0
18 mol 212 unq 1 iso 0 dist 6.11919 5.23162 9.15316 8.28362 7.98532 12.2861 numMergedOcc 0
19 mol 214 unq 0 iso 0 dist 8.20906 4.77722 9.39099 4.26898 7.72298 7.89413 numMergedOcc 0
20 mol 218 unq 0 iso 0 dist 5.66171 4.98567 7.90156 5.27483 8.5244 9.16208 numMergedOcc 0
21 mol 264 unq 0 iso 0 dist 8.75957 10.8606 6.21206 17.1788 8.56867 11.7067 numMergedOcc 0
22 mol 264 unq 1 iso 0 dist 8.75957 10.8606 6.21206 15.0574 6.29872 8.75534 numMergedOcc 0
