0 mol 45 unq 0 iso 0 dist 7.62709 8.60899 9.20119 10.82 8.59109 5.67689 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 7.62709 8.60899 9.20119 10.9036 8.13782 16.2375 numMergedOcc 0
2 mol 45 unq 2 iso 0 dist 7.61402 9.22921 6.99408 13.4742 8.13782 7.39653 numMergedOcc 0
3 mol 45 unq 3 iso 0 dist 7.61402 6.64343 9.3403 13.4742 8.13782 10.6095 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 7.37607 10.6897 6.71911 6.13182 6.5096 5.3525 numMergedOcc 0
5 mol 99 unq 0 iso 0 dist 8.86001 12.0573 7.72108 11.6733 6.6925 5.81128 numMergedOcc 0
6 mol 99 unq 1 iso 0 dist 8.86001 12.0573 7.72108 7.52543 7.12746 4.91474 numMergedOcc 0
7 mol 99 unq 2 iso 0 dist 9.36749 10.7947 7.72108 12.7528 6.6925 5.81128 numMergedOcc 0
8 mol 99 unq 3 iso 0 dist 9.36749 10.7947 7.72108 6.93979 7.12746 4.91474 numMergedOcc 0
9 mol 105 unq 0 iso 0 dist 6.13301 5.40409 8.36733 7.9126 6.52726 6.25861 numMergedOcc 0
10 mol 105 unq 1 iso 0 dist 6.13301 5.40409 8.36733 5.68682 9.12363 5.88211 numMergedOcc 0
11 mol 105 unq 2 iso 0 dist 6.13301 5.40409 8.36733 6.12741 6.50017 9.02292 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 9.40225 5.66289 6.27641 11.9162 6.90155 6.29785 numMergedOcc 0
13 mol 156 unq 1 iso 0 dist 7.49255 5.69897 6.27641 9.42317 6.90155 6.29785 numMergedOcc 0
14 mol 156 unq 2 iso 0 dist 4.94012 4.68187 6.27641 4.71629 6.90155 6.29785 numMergedOcc 0
15 mol 173 unq 0 iso 0 dist 9.13913 13.5954 7.93331 5.21474 9.79554 13.3053 numMergedOcc 0
16 mol 173 unq 1 iso 0 dist 9.13913 9.29369 6.98095 5.21474 9.79554 8.94065 numMergedOcc 0
17 mol 173 unq 2 iso 0 dist 9.13913 15.713 8.31897 5.21474 9.79554 14.2537 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 9.15536 10.5343 9.31887 10.9709 4.79852 8.22779 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 7.88787 10.2898 9.6668 9.91634 8.20656 6.80228 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 7.88787 10.2898 9.6668 13.2318 9.40622 11.6919 numMergedOcc 0
21 mol 181 unq 2 iso 0 dist 9.30874 5.114 6.94688 10.168 8.20656 8.25067 numMergedOcc 0
22 mol 181 unq 3 iso 0 dist 5.54873 5.114 6.71012 10.168 9.40622 8.25067 numMergedOcc 0
23 mol 194 unq 0 iso 0 dist 8.60851 5.87898 6.95408 11.5872 6.41318 7.11879 numMergedOcc 0
24 mol 194 unq 1 iso 0 dist 8.60851 13.1777 9.57538 11.5872 6.41318 8.89656 numMergedOcc 0
25 mol 194 unq 2 iso 0 dist 8.60851 15.4354 9.2285 11.5872 6.41318 7.8502 numMergedOcc 0
26 mol 194 unq 3 iso 0 dist 8.60851 15.5581 7.58278 11.5872 6.41318 7.82648 numMergedOcc 0
27 mol 213 unq 0 iso 0 dist 9.347 7.02346 4.26212 9.23019 6.17451 4.93472 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 9.97425 11.8217 7.06793 4.92261 8.89778 7.98696 numMergedOcc 0
29 mol 224 unq 1 iso 0 dist 8.39753 11.9904 7.06793 6.78064 8.89778 7.98696 numMergedOcc 0
30 mol 228 unq 0 iso 0 dist 7.39392 12.4165 9.42615 11.5853 7.46689 4.81881 numMergedOcc 0
31 mol 228 unq 1 iso 0 dist 8.04854 11.6016 8.06181 13.7194 8.37287 4.81881 numMergedOcc 0
32 mol 228 unq 2 iso 0 dist 8.04854 9.07296 8.38048 13.7194 8.37287 6.5952 numMergedOcc 0
33 mol 228 unq 3 iso 0 dist 8.04854 6.03966 7.65132 13.7194 8.37287 11.1604 numMergedOcc 0
34 mol 228 unq 4 iso 0 dist 8.04854 7.74541 8.53764 13.7194 8.37287 10.1917 numMergedOcc 0
35 mol 228 unq 5 iso 0 dist 7.56863 12.0882 9.06121 11.4416 7.09766 4.75417 numMergedOcc 0
36 mol 228 unq 6 iso 0 dist 8.08612 11.6723 7.77367 13.6087 8.07174 4.75417 numMergedOcc 0
37 mol 228 unq 7 iso 0 dist 8.08612 9.04318 8.20909 13.6087 8.07174 6.53802 numMergedOcc 0
38 mol 228 unq 8 iso 0 dist 8.08612 6.25423 7.94506 13.6087 8.07174 11.0908 numMergedOcc 0
39 mol 228 unq 9 iso 0 dist 8.08612 7.61976 8.15494 13.6087 8.07174 10.0837 numMergedOcc 0
40 mol 232 unq 0 iso 0 dist 8.94854 8.14537 7.07392 9.32919 9.86861 6.66754 numMergedOcc 0
41 mol 232 unq 1 iso 0 dist 8.94854 12.1805 9.62952 9.32919 9.86861 5.82592 numMergedOcc 0
42 mol 238 unq 0 iso 0 dist 7.90344 12.9109 8.14172 13.4787 6.00721 5.68826 numMergedOcc 0
43 mol 238 unq 1 iso 0 dist 7.90344 12.3128 6.77463 13.4787 6.00721 4.87097 numMergedOcc 0
44 mol 239 unq 0 iso 0 dist 8.5166 9.78463 7.39747 10.9676 6.34801 7.04058 numMergedOcc 0
45 mol 259 unq 0 iso 0 dist 9.418 15.6082 7.50578 7.0716 8.76313 11.5772 numMergedOcc 0
46 mol 259 unq 1 iso 0 dist 9.418 15.6082 7.50578 10.5554 7.4363 7.44916 numMergedOcc 0
47 mol 259 unq 2 iso 0 dist 8.10823 10.5525 7.50578 8.79231 8.76313 11.5772 numMergedOcc 0
48 mol 259 unq 3 iso 0 dist 8.10823 10.5525 7.50578 4.95598 7.4363 7.44916 numMergedOcc 0
49 mol 274 unq 0 iso 0 dist 9.89613 5.56999 6.50589 5.06637 8.49866 5.31116 numMergedOcc 0
50 mol 294 unq 0 iso 0 dist 9.17225 5.57044 9.03492 10.7347 7.72845 6.46298 numMergedOcc 0
