0 mol 48 unq 0 iso 0 dist 8.06519 7.77714 14.0438 13.11 20.0011 6.01454 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 7.54027 7.77714 10.6879 13.11 16.6074 6.01454 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 8.12546 8.02004 6.21973 13.2553 11.0152 6.04551 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 9.99922 5.65519 5.43707 6.25629 8.25999 6.17846 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 9.99922 5.65519 5.43707 7.26196 10.5168 6.08228 numMergedOcc 0
5 mol 64 unq 2 iso 0 dist 9.99922 5.65519 5.43707 7.27834 14.0922 9.86958 numMergedOcc 0
6 mol 132 unq 0 iso 0 dist 9.57415 7.79845 13.8244 6.84485 9.46097 8.15549 numMergedOcc 0
7 mol 192 unq 0 iso 0 dist 6.55345 8.3311 7.4314 13.2828 13.777 7.30965 numMergedOcc 0
8 mol 192 unq 1 iso 0 dist 6.55345 4.95155 6.38465 5.42318 10.5392 8.34883 numMergedOcc 0
9 mol 217 unq 0 iso 0 dist 6.60582 9.62606 10.0156 10.9243 13.8226 6.01666 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 9.0526 8.98518 12.1396 9.07015 10.2905 8.98362 numMergedOcc 0
11 mol 238 unq 0 iso 0 dist 9.27557 5.59164 7.10888 4.63444 11.4755 5.57184 numMergedOcc 0
12 mol 241 unq 0 iso 0 dist 9.05448 9.744 9.74628 6.51459 11.8311 7.41298 numMergedOcc 0
13 mol 241 unq 1 iso 0 dist 9.05448 7.62827 4.36577 6.51459 11.8311 9.99337 numMergedOcc 0
14 mol 249 unq 0 iso 0 dist 6.23348 8.9281 7.82195 7.05054 9.39819 6.18866 numMergedOcc 0
15 mol 257 unq 0 iso 0 dist 8.5835 8.53984 12.026 14.5073 18.5924 8.98346 numMergedOcc 0
16 mol 257 unq 1 iso 0 dist 7.86554 8.42116 14.3962 15.8732 22.9704 8.98346 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 7.96325 7.42888 9.93782 5.83092 5.04068 8.97411 numMergedOcc 0
18 mol 258 unq 1 iso 0 dist 6.81635 7.42888 9.56106 5.83092 11.3862 8.97411 numMergedOcc 0
19 mol 271 unq 0 iso 0 dist 8.17953 8.98817 8.45553 10.1974 14.3536 8.07242 numMergedOcc 0
20 mol 283 unq 0 iso 0 dist 7.11407 5.78449 5.2842 5.96063 9.0626 7.88405 numMergedOcc 0
