0 mol 11 unq 0 iso 0 dist 8.34508 7.93357 5.47299 10.0564 5.19841 4.79838 17.6833 12.9682 9.89425 9.58844 numMergedOcc 0
1 mol 98 unq 0 iso 0 dist 5.26536 7.30094 4.36944 9.56188 4.82789 7.46819 4.79891 6.40382 7.14813 9.29837 numMergedOcc 0
2 mol 142 unq 0 iso 0 dist 7.21779 5.19808 6.81144 9.15112 4.76541 5.69323 5.90339 4.65943 5.42679 5.26247 numMergedOcc 0
3 mol 193 unq 0 iso 0 dist 7.71716 3.72752 9.50113 9.42057 11.453 6.21648 8.28942 7.03555 6.94187 5.4245 numMergedOcc 0
4 mol 193 unq 1 iso 0 dist 8.71993 16.1667 9.50113 19.5463 11.453 6.21648 14.8267 7.03555 6.94187 5.4245 numMergedOcc 0
5 mol 205 unq 0 iso 0 dist 6.02053 6.20494 4.93303 11.639 7.98763 9.81165 7.18098 3.73699 7.88986 10.9008 numMergedOcc 0
6 mol 205 unq 1 iso 0 dist 7.41663 5.10421 4.93303 10.4842 7.98763 9.81165 10.1621 3.73699 7.88986 10.9008 numMergedOcc 0
7 mol 228 unq 0 iso 0 dist 8.09971 12.157 9.45974 16.3576 10.7923 8.29523 11.6487 4.6339 8.92379 6.68878 numMergedOcc 0
8 mol 228 unq 1 iso 0 dist 6.97798 11.1565 9.86348 14.3964 10.784 8.13557 9.96994 4.61961 9.06403 6.64821 numMergedOcc 0
9 mol 260 unq 0 iso 0 dist 8.13605 8.05498 4.76164 16.5135 9.42262 8.8385 15.4234 14.0954 9.73217 12.2431 numMergedOcc 0
10 mol 260 unq 1 iso 0 dist 8.13605 8.05498 4.76164 16.5135 9.42262 8.8385 8.29663 4.58993 7.49606 12.1038 numMergedOcc 0
11 mol 260 unq 2 iso 0 dist 8.13605 8.05498 4.76164 16.5135 9.42262 8.8385 11.2032 3.69763 8.06377 9.42988 numMergedOcc 0
12 mol 287 unq 0 iso 0 dist 8.47385 10.2357 5.44942 15.8904 9.9901 7.1388 14.254 6.71401 8.32982 6.79087 numMergedOcc 0
13 mol 287 unq 1 iso 0 dist 8.44356 10.2357 7.82157 15.8904 9.74355 7.1388 14.254 10.5401 8.32982 6.79087 numMergedOcc 0
14 mol 288 unq 0 iso 0 dist 8.47385 10.2357 5.44942 15.8904 9.9901 7.1388 14.254 6.71401 8.32982 6.79087 numMergedOcc 0
15 mol 288 unq 1 iso 0 dist 8.44356 10.2357 7.82157 15.8904 9.74355 7.1388 14.254 10.5401 8.32982 6.79087 numMergedOcc 0
16 mol 289 unq 0 iso 0 dist 8.47385 10.2357 5.44942 15.8904 9.9901 7.1388 14.254 6.71401 8.32982 6.79087 numMergedOcc 0
17 mol 289 unq 1 iso 0 dist 8.44356 10.2357 7.82157 15.8904 9.74355 7.1388 14.254 10.5401 8.32982 6.79087 numMergedOcc 0
