0 mol 33 unq 0 iso 0 dist 5.31968 4.41045 5.71433 3.82411 7.89306 4.78873 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 9.86405 4.41045 9.24529 3.82411 11.3212 4.78873 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.19554 6.35997 5.93713 6.66835 10.6218 4.75881 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 9.66461 6.77802 5.29743 3.42062 12.6509 9.05737 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 8.81136 9.48328 8.75048 8.11968 14.0414 8.65524 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 8.81136 9.48328 8.75048 12.3188 16.5778 8.96151 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 8.81136 9.48328 8.75048 9.72788 15.3934 9.02535 numMergedOcc 0
7 mol 63 unq 0 iso 0 dist 8.17492 5.89846 5.04771 6.63195 6.89855 8.14512 numMergedOcc 0
8 mol 63 unq 1 iso 0 dist 7.10403 9.56838 4.44607 11.1855 7.85738 9.13228 numMergedOcc 0
9 mol 78 unq 0 iso 0 dist 9.43893 8.39335 9.69493 11.779 17.9998 9.07629 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 9.43893 8.39335 9.69493 13.0405 16.285 8.61143 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 9.22704 6.29267 6.51961 6.02092 7.75543 4.15789 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 6.27877 8.15861 6.90443 3.81285 7.51319 6.67137 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 6.27877 8.15861 6.90443 6.17121 8.49887 7.04244 numMergedOcc 0
14 mol 85 unq 2 iso 0 dist 6.27877 9.27814 12.641 11.9486 16.0463 4.18248 numMergedOcc 0
15 mol 93 unq 0 iso 0 dist 6.67776 8.23294 4.90515 3.27874 5.23929 5.20429 numMergedOcc 0
16 mol 93 unq 1 iso 0 dist 6.67776 8.2702 5.08254 3.27874 5.23929 8.71366 numMergedOcc 0
17 mol 111 unq 0 iso 0 dist 9.01608 8.51084 8.4163 7.42165 11.9106 4.91212 numMergedOcc 0
18 mol 111 unq 1 iso 0 dist 9.01608 8.51084 8.4163 7.93667 14.4676 9.74162 numMergedOcc 0
19 mol 111 unq 2 iso 0 dist 9.01608 5.53271 7.9342 7.42165 11.9106 9.34782 numMergedOcc 0
20 mol 116 unq 0 iso 0 dist 8.49761 6.98134 11.193 4.26914 10.6766 6.55227 numMergedOcc 0
21 mol 151 unq 0 iso 0 dist 8.15628 5.91643 4.5975 6.07474 9.00461 9.37533 numMergedOcc 0
22 mol 199 unq 0 iso 0 dist 9.67342 9.72197 6.62024 5.47515 12.8211 9.64363 numMergedOcc 0
23 mol 204 unq 0 iso 0 dist 6.97502 8.09863 6.40044 6.29741 10.6368 8.54737 numMergedOcc 0
24 mol 204 unq 1 iso 0 dist 6.97502 8.09863 6.40044 3.88406 9.26192 7.64057 numMergedOcc 0
25 mol 233 unq 0 iso 0 dist 6.50096 6.45095 5.02086 6.41178 8.2484 7.83831 numMergedOcc 0
26 mol 233 unq 1 iso 0 dist 8.27169 8.7499 12.2453 5.97893 14.2027 9.80479 numMergedOcc 0
27 mol 283 unq 0 iso 0 dist 9.16563 7.17276 5.01922 6.30031 10.3573 7.31132 numMergedOcc 0
