0 mol 25 unq 0 iso 0 dist 8.40051 13.466 7.57578 15.9662 7.92503 6.11127 12.1406 4.96681 9.22151 8.00738 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.40051 14.4191 7.17969 15.9662 7.92503 5.30154 12.1406 4.96681 6.22122 8.00738 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 7.63928 6.17631 6.03987 9.78075 6.85556 5.68392 18.8151 16.5113 14.6002 9.86224 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 5.97635 10.7219 9.5589 11.5332 7.21717 15.293 8.34361 5.65405 14.4402 8.60653 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 5.97635 6.76462 6.83299 11.5332 7.21717 13.86 8.34361 5.65405 10.5929 8.60653 numMergedOcc 0
5 mol 54 unq 2 iso 0 dist 5.97635 13.2619 8.10861 11.5332 7.21717 5.99981 8.34361 5.65405 6.54183 8.60653 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 9.22002 6.16737 6.65721 12.7481 9.25641 13.5488 11.5166 5.46309 9.70415 5.67362 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 6.18763 5.3154 6.18601 6.49348 8.00003 10.4376 13.149 11.6494 16.8793 9.21645 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 5.63005 10.5268 8.73993 13.1254 9.23858 9.89358 17.7147 12.1367 13.63 9.57532 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 5.63005 10.5268 8.73993 13.1254 9.23858 9.89358 15.5348 10.5726 8.88255 8.61574 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 7.81337 11.4498 6.85062 4.34786 8.70296 14.2045 7.46875 5.29825 12.0117 5.43662 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 9.50322 5.37072 7.11802 16.7326 9.22232 16.0138 18.7688 10.4303 15.5187 9.93309 numMergedOcc 0
12 mol 180 unq 0 iso 0 dist 9.88732 6.54937 9.62337 10.6052 5.85827 8.78204 15.8981 6.93557 16.3276 9.59587 numMergedOcc 0
13 mol 180 unq 1 iso 0 dist 5.77949 6.91082 9.62337 5.62869 5.85827 8.78204 11.2584 6.93557 16.3276 9.59587 numMergedOcc 0
14 mol 180 unq 2 iso 0 dist 8.68403 10.1423 9.62337 8.39191 5.85827 8.78204 12.4704 6.93557 16.3276 9.59587 numMergedOcc 0
15 mol 180 unq 3 iso 0 dist 5.80441 9.82186 9.62337 4.11186 5.85827 8.78204 9.19555 6.93557 16.3276 9.59587 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 6.78739 5.94469 7.77758 9.14877 7.07865 9.79901 5.25309 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 9.84952 12.9554 7.63312 6.78739 5.94469 12.5387 9.14877 7.07865 13.7928 5.25309 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 4.21811 6.02296 6.35849 10.5265 7.00512 13.7795 9.90065 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 9.20416 5.26243 8.2734 11.6878 7.07965 10.8848 14.5129 5.81799 13.4688 6.68183 numMergedOcc 0
20 mol 292 unq 1 iso 0 dist 7.53641 5.58251 8.2734 8.46139 7.07965 10.8848 10.7581 5.81799 13.4688 6.68183 numMergedOcc 0
