0 mol 7 unq 0 iso 0 dist 7.88043 5.99459 8.0744 7.78327 10.6558 7.00508 12.2041 5.72491 9.67164 14.0084 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 4.93188 6.6219 8.32592 8.23075 4.21283 10.1923 12.3067 9.24958 11.0181 10.551 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 4.93188 6.6219 8.32592 4.7841 4.97191 9.92483 12.3067 9.24958 11.0181 14.1707 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 4.93188 5.68215 8.10397 8.23075 4.21283 9.24731 12.3067 9.24958 17.003 10.551 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 4.93188 5.68215 8.10397 4.7841 4.97191 3.53396 12.3067 9.24958 17.003 14.1707 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 5.81959 7.6114 11.4877 7.03372 6.32857 9.34154 10.6808 6.90155 16.617 13.2158 numMergedOcc 0
6 mol 38 unq 0 iso 0 dist 7.05737 9.19165 5.26748 7.68478 4.841 5.08577 5.64331 7.54179 10.9308 6.87122 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 9.93832 6.6263 4.55347 7.39848 6.59887 5.14161 8.13395 8.60739 6.75943 11.4251 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 8.85586 5.5087 5.50891 7.37171 12.6176 10.0644 8.07446 5.16364 5.61588 8.62079 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 8.85586 6.08682 4.75954 7.37171 12.6176 12.1501 8.07446 5.16364 7.83244 8.62079 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 5.16364 8.72682 5.56296 8.62079 12.6176 14.0236 8.07446 8.85586 10.2939 7.37171 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 5.16364 6.45841 6.69436 8.62079 12.6176 11.9118 8.07446 8.85586 8.62198 7.37171 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 5.16364 5.61588 5.50891 8.62079 12.6176 10.0644 8.07446 8.85586 5.5087 7.37171 numMergedOcc 0
13 mol 73 unq 5 iso 0 dist 5.16364 7.83244 4.75954 8.62079 12.6176 12.1501 8.07446 8.85586 6.08682 7.37171 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 6.69515 8.07097 5.25982 7.46621 10.7652 8.53163 6.21253 7.86572 11.5913 13.6589 numMergedOcc 0
15 mol 152 unq 0 iso 0 dist 9.77552 6.59889 4.71678 7.55934 6.69469 5.12696 7.65448 8.28642 6.70693 11.2397 numMergedOcc 0
16 mol 152 unq 1 iso 0 dist 9.77552 8.9192 7.11377 7.55934 6.69469 6.04238 7.65448 8.28642 9.27706 11.2397 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 7.24795 8.73533 9.40383 5.90765 9.28201 3.60793 9.41955 9.56197 16.711 14.8324 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 7.24795 8.73533 9.40383 5.90765 9.28201 3.60793 13.684 8.64409 17.684 17.3863 numMergedOcc 0
19 mol 186 unq 2 iso 0 dist 7.24795 8.73533 9.40383 5.90765 9.28201 3.60793 9.45987 7.60202 13.8845 13.011 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 6.60567 7.41662 9.48862 6.59544 11.5264 5.60873 10.7531 7.62942 16.1768 16.1245 numMergedOcc 0
21 mol 218 unq 0 iso 0 dist 5.76954 7.33709 6.57708 7.84952 11.2216 13.5381 4.72474 6.29367 8.75536 11.8692 numMergedOcc 0
22 mol 218 unq 1 iso 0 dist 5.76954 7.33709 6.57708 7.84952 11.2216 13.5381 5.61978 9.20961 6.67404 12.5146 numMergedOcc 0
23 mol 218 unq 2 iso 0 dist 6.29511 7.33709 13.4147 7.84952 5.46009 13.5381 4.72474 8.86175 8.75536 11.8692 numMergedOcc 0
24 mol 248 unq 0 iso 0 dist 6.17052 9.05018 7.14182 7.79063 4.91893 9.81612 5.55137 9.77666 9.33962 9.64778 numMergedOcc 0
