0 mol 45 unq 0 iso 0 dist 6.87036 4.44247 8.98789 5.59308 8.50375 6.72134 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 7.93498 5.23555 9.2934 7.99907 9.20861 4.86242 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 6.61645 10.9929 7.36335 6.3678 5.32369 6.12826 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 6.61645 10.9929 7.36335 7.31722 7.03417 5.02124 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 7.4113 3.97585 9.00059 5.27861 8.61909 6.64548 numMergedOcc 0
5 mol 114 unq 1 iso 0 dist 7.4113 3.97585 9.00059 12.5418 5.96977 13.0805 numMergedOcc 0
6 mol 114 unq 2 iso 0 dist 7.4113 14.7066 9.87517 5.27861 8.61909 17.9949 numMergedOcc 0
7 mol 114 unq 3 iso 0 dist 7.4113 14.7066 9.87517 12.5418 5.96977 6.45112 numMergedOcc 0
8 mol 114 unq 4 iso 0 dist 7.4113 10.8705 7.90713 5.27861 8.61909 14.5862 numMergedOcc 0
9 mol 114 unq 5 iso 0 dist 7.4113 10.8705 7.90713 12.5418 5.96977 6.10186 numMergedOcc 0
10 mol 114 unq 6 iso 0 dist 8.53631 14.6592 9.00059 15.2678 8.61909 6.64548 numMergedOcc 0
11 mol 114 unq 7 iso 0 dist 8.53631 14.6592 9.00059 5.01204 5.96977 13.0805 numMergedOcc 0
12 mol 114 unq 8 iso 0 dist 8.53631 11.153 9.87517 15.2678 8.61909 17.9949 numMergedOcc 0
13 mol 114 unq 9 iso 0 dist 8.53631 11.153 9.87517 5.01204 5.96977 6.45112 numMergedOcc 0
14 mol 114 unq 10 iso 0 dist 8.53631 10.046 7.90713 15.2678 8.61909 14.5862 numMergedOcc 0
15 mol 114 unq 11 iso 0 dist 8.53631 10.046 7.90713 5.01204 5.96977 6.10186 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 7.75833 4.1643 6.94015 4.43386 9.24546 5.53162 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 8.09561 5.79944 8.78397 5.02895 9.70169 9.92336 numMergedOcc 0
18 mol 165 unq 0 iso 0 dist 5.93144 9.78341 5.03758 9.75493 9.74517 9.18332 numMergedOcc 0
19 mol 251 unq 0 iso 0 dist 8.15014 7.92068 6.63516 9.31952 9.55854 9.18859 numMergedOcc 0
20 mol 251 unq 1 iso 0 dist 6.06154 11.4966 6.63516 8.73179 9.55854 9.18859 numMergedOcc 0
21 mol 260 unq 0 iso 0 dist 6.90472 10.4884 7.30584 8.32254 8.8385 7.09417 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 9.25289 12.618 7.89784 8.7383 3.93401 7.32101 numMergedOcc 0
23 mol 292 unq 1 iso 0 dist 9.25289 6.84871 7.83983 8.7383 3.93401 5.737 numMergedOcc 0
24 mol 292 unq 2 iso 0 dist 9.29687 16.1645 7.89784 9.01459 3.93401 7.32101 numMergedOcc 0
25 mol 292 unq 3 iso 0 dist 9.29687 6.27756 7.83983 9.01459 3.93401 5.737 numMergedOcc 0
