0 mol 58 unq 0 iso 0 dist 6.88243 13.2851 8.69057 5.46061 8.66539 10.8779 17.1116 11.0945 6.40841 16.0571 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 6.88243 13.2851 8.69057 7.93761 5.38524 5.47421 17.1116 11.0945 6.40841 10.335 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 9.90923 5.31976 7.39665 14.8791 9.8703 14.224 9.01261 7.39155 7.96497 16.5849 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 5.82056 6.97502 5.61588 4.30874 5.5087 8.07446 13.2294 8.97361 7.13087 13.6145 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 9.09115 6.97502 7.83244 4.30874 6.08682 8.07446 13.2294 10.2983 7.13087 13.6145 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 9.76849 6.06775 7.51139 14.7449 7.80898 12.1547 5.92974 8.40245 9.10189 11.375 numMergedOcc 0
6 mol 88 unq 1 iso 0 dist 9.76849 14.7449 7.80898 6.06775 7.51139 12.1547 14.7557 7.15936 8.66514 14.3557 numMergedOcc 0
7 mol 88 unq 2 iso 0 dist 9.76849 14.7449 7.80898 6.06775 7.51139 12.1547 17.2748 10.8763 9.25235 17.4216 numMergedOcc 0
8 mol 132 unq 0 iso 0 dist 8.62632 11.6877 6.89918 11.8999 7.89457 4.35917 14.6742 6.545 6.03703 7.61505 numMergedOcc 0
9 mol 132 unq 1 iso 0 dist 8.62632 11.8999 7.89457 11.6877 6.89918 4.35917 14.6742 6.545 7.61505 6.03703 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 8.39573 12.5935 9.01624 4.681 5.05973 11.5866 18.3583 12.2513 7.98142 16.7285 numMergedOcc 0
11 mol 181 unq 1 iso 0 dist 8.39573 12.5935 9.01624 4.681 5.05973 11.5866 19.9229 14.8923 7.37327 18.3916 numMergedOcc 0
12 mol 192 unq 0 iso 0 dist 6.98794 6.34098 5.64942 9.57246 6.97962 5.76246 13.2314 10.1087 8.36822 12.1647 numMergedOcc 0
13 mol 225 unq 0 iso 0 dist 8.94981 17.0867 8.1945 6.89798 6.50998 13.3965 12.0931 3.92979 5.50387 9.88956 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 9.67281 7.01206 9.12776 11.2453 9.72188 15.7907 11.1838 15.4844 6.55759 21.3432 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 9.67281 7.01206 9.12776 11.2453 9.72188 15.7907 9.40892 13.037 7.02475 17.436 numMergedOcc 0
16 mol 238 unq 2 iso 0 dist 9.67281 7.01206 9.12776 11.2453 9.72188 15.7907 6.40309 9.75095 7.67322 12.1104 numMergedOcc 0
17 mol 238 unq 3 iso 0 dist 9.67281 7.01206 9.12776 11.2453 9.72188 15.7907 11.5826 6.12722 7.19008 15.0465 numMergedOcc 0
18 mol 238 unq 4 iso 0 dist 9.67281 11.2453 9.72188 7.01206 9.12776 15.7907 7.87164 11.7938 9.29858 12.3367 numMergedOcc 0
19 mol 257 unq 0 iso 0 dist 8.27649 10.8918 7.81897 5.54149 6.34915 5.74182 14.6334 7.89807 7.27505 10.9918 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 8.40328 12.3834 6.9899 6.18571 5.85442 9.98105 15.8134 9.2872 6.77938 14.5785 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 8.40328 12.3834 6.9899 6.18571 5.85442 9.98105 12.0867 4.61451 7.76676 10.4634 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 9.91103 5.77904 8.9682 16.3552 9.57499 11.8268 11.7564 18.3854 9.41725 19.0768 numMergedOcc 0
23 mol 277 unq 1 iso 0 dist 9.91103 5.77904 8.9682 10.4297 5.46926 7.08227 11.7564 18.3854 9.41725 15.6511 numMergedOcc 0
24 mol 277 unq 2 iso 0 dist 7.0603 5.77904 6.92711 10.4297 5.13913 7.08227 11.7564 16.1088 9.41725 15.6511 numMergedOcc 0
