0 mol 13 unq 0 iso 0 dist 9.11704 7.14622 9.50751 5.88082 9.20106 10.1939 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 9.11704 7.14622 9.50751 7.10396 7.76514 12.3915 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 5.35252 9.38206 4.91651 10.6637 9.79657 14.0721 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 5.41357 8.64746 4.97497 5.65551 5.45684 10.4215 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 5.41357 8.64746 4.97497 9.81422 7.76644 11.8445 numMergedOcc 0
5 mol 64 unq 2 iso 0 dist 9.30042 8.64746 6.60091 5.65551 7.66372 10.4215 numMergedOcc 0
6 mol 64 unq 3 iso 0 dist 9.30042 8.64746 6.60091 9.81422 9.99743 11.8445 numMergedOcc 0
7 mol 75 unq 0 iso 0 dist 4.76466 8.26819 6.78257 7.91223 7.93145 7.49283 numMergedOcc 0
8 mol 99 unq 0 iso 0 dist 8.68674 9.46619 6.83905 8.61334 4.82346 8.86001 numMergedOcc 0
9 mol 99 unq 1 iso 0 dist 8.68674 9.46619 6.83905 12.2155 8.07233 9.36749 numMergedOcc 0
10 mol 104 unq 0 iso 0 dist 5.71279 9.66258 9.81762 5.78815 7.32917 12.6103 numMergedOcc 0
11 mol 104 unq 1 iso 0 dist 5.71279 9.66258 9.81762 10.2942 8.84844 15.5352 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 5.25149 5.00266 4.51612 8.17619 9.57625 10.8781 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 8.6368 5.00266 8.8105 7.36665 9.984 11.498 numMergedOcc 0
14 mol 220 unq 2 iso 0 dist 8.6368 5.00266 8.8105 8.17619 8.08702 10.8781 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 6.23677 8.76325 4.76056 8.8161 8.96263 8.39753 numMergedOcc 0
16 mol 224 unq 1 iso 0 dist 7.31608 8.85101 4.76056 3.92881 8.96263 8.39753 numMergedOcc 0
17 mol 224 unq 2 iso 0 dist 7.96226 8.85101 4.1117 3.92881 7.35677 8.39753 numMergedOcc 0
18 mol 228 unq 0 iso 0 dist 9.9685 7.95486 13.9493 7.17017 8.22515 14.7152 numMergedOcc 0
19 mol 228 unq 1 iso 0 dist 9.9685 4.42593 7.98833 7.17017 8.22515 7.56863 numMergedOcc 0
20 mol 228 unq 2 iso 0 dist 9.9685 7.33564 5.16211 7.17017 8.22515 9.49938 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 9.01071 4.57548 11.2678 13.3781 7.449 16.2065 numMergedOcc 0
22 mol 239 unq 1 iso 0 dist 9.01071 4.57548 11.2678 14.2324 8.98789 17.9955 numMergedOcc 0
23 mol 239 unq 2 iso 0 dist 8.86185 4.57548 4.81796 10.1043 7.80073 9.10967 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 9.86267 9.44826 3.83813 8.46595 9.78704 12.1707 numMergedOcc 0
25 mol 272 unq 0 iso 0 dist 5.37747 7.06971 4.60751 6.62729 5.34803 6.87981 numMergedOcc 0
26 mol 273 unq 0 iso 0 dist 5.78262 6.59786 8.67797 7.01631 7.84151 11.9076 numMergedOcc 0
27 mol 273 unq 1 iso 0 dist 5.78262 6.59786 8.67797 7.05181 7.346 13.3779 numMergedOcc 0
28 mol 273 unq 2 iso 0 dist 5.78262 7.96519 13.2599 7.01631 7.84151 13.4202 numMergedOcc 0
29 mol 273 unq 3 iso 0 dist 5.78262 7.96519 13.2599 7.05181 7.346 14.0662 numMergedOcc 0
