0 mol 76 unq 0 iso 0 dist 9.06225 8.04327 7.02854 8.92491 5.22567 5.73235 9.81264 13.6767 10.2556 9.26231 numMergedOcc 0
1 mol 90 unq 0 iso 0 dist 9.28585 4.59148 6.6146 13.0735 5.12529 9.06641 10.156 8.6308 6.3566 7.94379 numMergedOcc 0
2 mol 99 unq 0 iso 0 dist 5.33644 6.02095 6.81741 5.61946 4.74328 8.68674 5.36117 8.23566 8.61334 4.82346 numMergedOcc 0
3 mol 99 unq 1 iso 0 dist 5.33644 6.02095 6.81741 5.61946 4.74328 8.68674 7.21001 11.1962 12.2155 8.07233 numMergedOcc 0
4 mol 134 unq 0 iso 0 dist 9.49104 8.22726 5.33543 15.9043 10.6104 9.88178 21.1775 18.1155 15.6097 8.15734 numMergedOcc 0
5 mol 134 unq 1 iso 0 dist 9.49104 8.22726 5.33543 15.9043 10.6104 9.88178 12.0027 9.21999 5.57607 6.00896 numMergedOcc 0
6 mol 162 unq 0 iso 0 dist 8.77869 15.3374 8.954 16.3072 7.84996 6.59407 22.2139 14.4576 8.59214 7.08934 numMergedOcc 0
7 mol 162 unq 1 iso 0 dist 8.77869 15.3374 8.954 16.3072 7.84996 6.59407 22.6002 15.2359 7.46189 9.43135 numMergedOcc 0
8 mol 183 unq 0 iso 0 dist 7.38821 4.0252 7.69421 11.0442 9.01399 8.97652 8.72592 9.82833 4.92164 9.84649 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 9.89709 12.6035 7.02662 6.36789 6.12748 6.72718 9.85164 13.7617 11.315 9.60838 numMergedOcc 0
10 mol 192 unq 0 iso 0 dist 7.252 13.2525 7.30965 9.78743 5.21255 6.2016 9.99333 7.72242 6.16078 5.83093 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 7.19213 5.55359 7.00683 13.5496 8.61406 9.52029 19.3074 16.5867 13.8486 9.23669 numMergedOcc 0
12 mol 204 unq 1 iso 0 dist 5.67196 4.72843 7.00683 10.6489 8.61406 9.52029 17.0934 16.5867 13.8486 9.23669 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 8.68803 6.54316 9.59937 4.53228 5.94643 7.58554 4.53635 8.01565 8.46058 7.10828 numMergedOcc 0
14 mol 241 unq 0 iso 0 dist 8.15897 6.70277 9.174 12.5814 10.9643 7.26758 10.5657 13.2681 4.77878 6.54678 numMergedOcc 0
15 mol 244 unq 0 iso 0 dist 6.06284 5.45847 6.51428 12.6281 13.4155 7.79787 11.1369 13.0526 8.64762 6.2667 numMergedOcc 0
16 mol 294 unq 0 iso 0 dist 8.82869 4.75799 5.76337 10.4239 7.87494 9.77023 13.7026 15.144 14.1763 8.46311 numMergedOcc 0
