0 mol 44 unq 0 iso 0 dist 4.97954 8.59022 7.81854 9.6925 9.96265 15.1066 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 9.20117 8.59022 8.99329 9.6925 9.70459 15.1066 numMergedOcc 0
2 mol 44 unq 2 iso 0 dist 8.72535 8.59022 8.90976 9.6925 7.78905 15.1066 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 6.17977 7.67586 5.34079 5.03832 8.05508 6.85766 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 6.17977 7.67586 5.34079 6.31331 9.00229 11.6226 numMergedOcc 0
5 mol 81 unq 0 iso 0 dist 9.1024 8.93196 14.5768 9.71929 9.08307 18.2409 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 8.48295 7.47827 10.2967 11.0049 8.86252 16.1797 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 8.54807 6.05043 5.33325 11.7964 8.69069 12.5309 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 8.54807 6.05043 5.33325 6.40193 9.65047 7.27724 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 6.34761 5.87387 5.74067 5.51609 9.44713 10.1937 numMergedOcc 0
10 mol 114 unq 1 iso 0 dist 6.34761 6.06543 4.1386 5.51609 9.44713 7.35754 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 8.74464 9.64856 12.906 6.82985 6.31125 13.724 numMergedOcc 0
12 mol 131 unq 1 iso 0 dist 8.74464 6.38977 5.6098 6.82985 6.31125 8.40312 numMergedOcc 0
13 mol 131 unq 2 iso 0 dist 8.74464 9.69757 4.29914 6.82985 6.31125 7.12972 numMergedOcc 0
14 mol 159 unq 0 iso 0 dist 8.73427 7.78695 7.64659 9.92514 4.91784 12.0092 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 7.5179 9.73922 9.57777 9.26656 5.59806 12.4733 numMergedOcc 0
16 mol 167 unq 1 iso 0 dist 8.01303 6.64164 8.66436 5.361 5.59806 9.87651 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.83021 8.08787 8.94975 11.0897 7.80299 13.8635 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 6.99667 8.3035 4.55245 6.23589 4.84709 8.82096 numMergedOcc 0
19 mol 214 unq 1 iso 0 dist 6.22499 9.01896 4.55245 7.3913 4.84709 8.82096 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 7.49227 9.93154 8.65229 6.02375 9.07872 10.4905 numMergedOcc 0
21 mol 227 unq 1 iso 0 dist 7.49227 9.18218 13.0161 6.02375 9.07872 11.0431 numMergedOcc 0
22 mol 227 unq 2 iso 0 dist 7.49227 6.18486 11.8065 6.02375 9.07872 10.0334 numMergedOcc 0
23 mol 252 unq 0 iso 0 dist 6.68688 6.7283 11.6171 6.70664 6.1197 11.2418 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 9.22345 5.69465 8.04474 9.02631 9.64124 11.448 numMergedOcc 0
25 mol 292 unq 1 iso 0 dist 9.22345 5.69465 8.04474 8.46956 9.30668 8.2734 numMergedOcc 0
