0 mol 53 unq 0 iso 0 dist 9.06787 14.816 8.79235 5.87231 7.28228 10.7201 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 5.40287 6.94523 6.88243 6.82279 8.66539 5.46061 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 5.40287 6.94523 6.88243 5.52874 5.38524 7.93761 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 5.40287 6.94523 6.88243 9.02602 8.69057 13.2851 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 5.35145 5.72979 6.44825 6.45647 8.3733 11 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 8.76815 7.23902 9.90923 11.0447 9.8703 14.8791 numMergedOcc 0
6 mol 68 unq 1 iso 0 dist 8.76815 7.23902 9.90923 5.4779 7.39665 5.31976 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 5.65006 7.2435 6.14248 5.27863 8.23026 5.82267 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 5.65006 8.53213 6.97936 5.27863 8.23026 12.6179 numMergedOcc 0
9 mol 76 unq 2 iso 0 dist 5.65006 5.28721 5.00466 5.27863 8.23026 7.88072 numMergedOcc 0
10 mol 88 unq 0 iso 0 dist 9.54537 17.974 9.76849 14.437 7.51139 6.06775 numMergedOcc 0
11 mol 88 unq 1 iso 0 dist 9.54537 17.974 9.76849 4.31214 7.80898 14.7449 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.25027 11.6888 9.7105 4.28997 7.22643 9.71227 numMergedOcc 0
13 mol 144 unq 0 iso 0 dist 8.85737 9.10142 9.08956 7.12825 7.64028 9.4361 numMergedOcc 0
14 mol 146 unq 0 iso 0 dist 8.82192 14.2167 5.50187 7.05046 9.04757 12.8565 numMergedOcc 0
15 mol 152 unq 0 iso 0 dist 9.77567 6.30491 9.17216 5.29694 6.59889 6.62991 numMergedOcc 0
16 mol 152 unq 1 iso 0 dist 9.77567 6.30491 9.17216 12.1481 6.70693 13.4463 numMergedOcc 0
17 mol 152 unq 2 iso 0 dist 9.77567 4.48776 9.40483 5.29694 6.59889 7.17016 numMergedOcc 0
18 mol 152 unq 3 iso 0 dist 9.77567 4.48776 9.40483 12.1481 6.70693 11.3742 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 6.3407 8.15911 9.867 8.9058 7.21137 6.45734 numMergedOcc 0
20 mol 205 unq 1 iso 0 dist 6.3407 8.15911 9.867 10.4602 8.4844 15.4114 numMergedOcc 0
21 mol 225 unq 0 iso 0 dist 6.20862 14.2932 8.94981 4.72643 8.1945 17.0867 numMergedOcc 0
22 mol 225 unq 1 iso 0 dist 6.20862 14.2932 8.94981 9.6289 6.50998 6.89798 numMergedOcc 0
23 mol 225 unq 2 iso 0 dist 7.27888 4.8373 8.94981 15.1562 8.1945 17.0867 numMergedOcc 0
24 mol 225 unq 3 iso 0 dist 7.27888 4.8373 8.94981 5.92569 6.50998 6.89798 numMergedOcc 0
25 mol 225 unq 4 iso 0 dist 9.0254 4.8373 5.90986 5.92569 9.09424 6.89798 numMergedOcc 0
26 mol 225 unq 5 iso 0 dist 4.58113 5.61312 7.50697 6.87089 8.14831 6.89798 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 9.93282 5.98095 8.40328 5.69584 5.85442 6.18571 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 9.93282 5.98095 8.40328 15.3167 6.9899 12.3834 numMergedOcc 0
29 mol 259 unq 2 iso 0 dist 8.90555 5.98095 8.2518 6.00315 9.46361 11.0067 numMergedOcc 0
30 mol 259 unq 3 iso 0 dist 8.90555 5.98095 8.2518 5.69584 6.95511 6.18571 numMergedOcc 0
