0 mol 24 unq 0 iso 0 dist 6.32779 8.10063 6.22149 6.09311 9.74777 8.11143 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.94728 8.88399 6.74888 3.94196 5.11382 5.65754 numMergedOcc 0
2 mol 37 unq 0 iso 0 dist 8.28713 6.48296 4.2096 6.96814 6.32052 4.07334 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 8.38139 9.66461 8.5248 3.42062 9.07283 12.6509 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 7.61513 9.12873 5.30715 3.30756 8.51839 7.93498 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 7.52742 6.27877 4.75717 3.81285 6.56288 7.51319 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 7.52742 6.27877 4.75717 6.17121 5.97559 8.49887 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 9.00874 6.67776 6.11046 3.27874 8.92653 5.23929 numMergedOcc 0
8 mol 104 unq 0 iso 0 dist 9.71834 7.15143 5.83615 4.07581 9.58427 9.43136 numMergedOcc 0
9 mol 111 unq 0 iso 0 dist 5.68841 9.01608 5.67604 7.42165 6.33923 11.9106 numMergedOcc 0
10 mol 111 unq 1 iso 0 dist 5.68841 9.01608 5.67604 7.93667 9.9801 14.4676 numMergedOcc 0
11 mol 124 unq 0 iso 0 dist 7.24083 8.40121 11.2378 6.49874 8.06631 13.9662 numMergedOcc 0
12 mol 124 unq 1 iso 0 dist 7.24083 9.09998 9.0109 6.49874 8.06631 14.5648 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.27008 8.72732 15.392 5.27905 6.01995 10.3668 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 9.1717 5.68406 8.04699 6.8842 5.86693 9.57243 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 8.8319 9.46329 8.04699 5.05002 5.86693 9.57243 numMergedOcc 0
16 mol 176 unq 0 iso 0 dist 6.21825 9.24242 5.34777 3.71345 4.67031 8.79752 numMergedOcc 0
17 mol 176 unq 1 iso 0 dist 6.21825 9.24242 5.34777 6.55919 6.20326 10.0335 numMergedOcc 0
18 mol 176 unq 2 iso 0 dist 6.21825 9.24242 5.34777 8.25138 8.98043 7.29985 numMergedOcc 0
19 mol 176 unq 3 iso 0 dist 6.21825 9.24242 5.34777 7.10617 6.8243 7.58281 numMergedOcc 0
20 mol 176 unq 4 iso 0 dist 6.21825 9.24242 5.34777 10.5042 8.90797 8.8756 numMergedOcc 0
21 mol 176 unq 5 iso 0 dist 8.95504 9.24242 10.4177 12.7977 8.00223 13.2726 numMergedOcc 0
22 mol 176 unq 6 iso 0 dist 8.95504 9.24242 10.4177 12.1252 9.60695 15.603 numMergedOcc 0
23 mol 233 unq 0 iso 0 dist 6.28379 5.79204 5.20211 5.74821 6.45095 6.33954 numMergedOcc 0
24 mol 278 unq 0 iso 0 dist 6.08019 9.79758 11.0702 5.40345 7.73107 15.1396 numMergedOcc 0
