0 mol 52 unq 0 iso 0 dist 7.68916 13.3091 7.34143 9.04053 6.31696 6.66056 20.1728 13.9113 7.70026 11.7865 numMergedOcc 0
1 mol 52 unq 1 iso 0 dist 7.47417 13.0115 7.34143 11.8458 6.31696 6.66056 20.5151 13.9113 7.70026 11.7865 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 7.51978 11.7347 8.10861 13.9555 7.21717 5.99981 7.34695 5.65405 6.54183 8.60653 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 5.09688 9.65979 6.45675 6.29383 7.38135 7.11701 10.6298 5.92158 8.96916 12.1601 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 6.29383 7.38135 11.2312 10.6298 5.92158 5.70279 12.1601 numMergedOcc 0
5 mol 100 unq 2 iso 0 dist 9.26343 13.666 6.45675 10.728 7.38135 7.11701 14.516 5.92158 8.96916 12.1601 numMergedOcc 0
6 mol 100 unq 3 iso 0 dist 9.26343 16.4386 7.47343 10.728 7.38135 11.2312 14.516 5.92158 5.70279 12.1601 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.59784 9.70986 8.73993 8.66162 6.52773 7.20179 13.5058 10.5726 8.88255 14.0057 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 8.59784 9.70986 8.73993 6.71925 9.23858 9.89358 13.5058 10.5726 8.88255 8.61574 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 8.14071 13.1328 5.83384 9.81728 9.36851 10.7293 14.4208 6.65856 6.23966 15.008 numMergedOcc 0
10 mol 129 unq 1 iso 0 dist 8.14071 13.1328 5.83384 6.95825 4.97175 7.29399 14.4208 6.65856 6.23966 11.0726 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 6.07676 6.05039 8.03334 6.28923 6.46704 4.43096 14.6123 14.0828 8.90247 11.3392 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 6.07676 6.05039 8.03334 6.10683 6.59025 8.04639 14.6123 14.0828 8.90247 13.656 numMergedOcc 0
13 mol 181 unq 2 iso 0 dist 9.25528 18.2027 9.1374 15.4597 8.90963 8.91338 12.9113 5.114 8.90247 9.99409 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 7.36642 9.43922 7.26832 10.098 6.03688 12.4957 13.4086 10.6362 6.15806 16.5371 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 8.93637 14.8074 9.23153 12.5597 6.59716 7.11498 12.9092 5.1021 6.21273 7.58118 numMergedOcc 0
16 mol 231 unq 0 iso 0 dist 8.17766 11.3675 7.37839 6.62976 7.79066 9.0443 16.1172 10.613 8.91036 10.7108 numMergedOcc 0
17 mol 231 unq 1 iso 0 dist 9.84965 14.0116 7.37839 5.74327 7.79066 9.0443 13.6002 10.613 8.91036 10.7108 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 7.22378 6.8193 6.60405 4.39424 7.21311 5.63675 12.5042 5.70285 8.9706 11.8123 numMergedOcc 0
