0 mol 18 unq 0 iso 0 dist 8.24155 8.81762 8.58937 8.95573 12.2849 4.71158 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.24155 5.32149 6.81904 8.95573 12.2849 8.70343 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 7.33632 9.44151 5.30679 8.71628 9.03714 12.5816 numMergedOcc 0
3 mol 70 unq 0 iso 0 dist 7.68652 6.77833 14.2824 8.06918 14.4842 6.65811 numMergedOcc 0
4 mol 70 unq 1 iso 0 dist 7.68652 6.77833 14.2824 7.52623 14.7467 5.47516 numMergedOcc 0
5 mol 70 unq 2 iso 0 dist 7.68652 6.77833 14.2824 5.62294 5.93792 11.0952 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 9.35806 9.25901 5.05123 6.88603 11.5873 9.06747 numMergedOcc 0
7 mol 90 unq 1 iso 0 dist 9.35806 7.96299 12.0807 6.88603 11.5873 9.85676 numMergedOcc 0
8 mol 90 unq 2 iso 0 dist 4.48773 9.25901 5.51793 6.88603 5.30537 9.06747 numMergedOcc 0
9 mol 90 unq 3 iso 0 dist 4.48773 7.96299 6.1985 6.88603 5.30537 9.85676 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 8.58504 9.96446 11.5195 9.62702 17.3321 10.9381 numMergedOcc 0
11 mol 92 unq 1 iso 0 dist 8.58504 9.96446 11.5195 6.97484 11.406 12.1976 numMergedOcc 0
12 mol 92 unq 2 iso 0 dist 8.58504 6.70686 11.5567 9.62702 17.3321 7.17408 numMergedOcc 0
13 mol 92 unq 3 iso 0 dist 8.58504 6.70686 11.5567 6.97484 11.406 10.944 numMergedOcc 0
14 mol 122 unq 0 iso 0 dist 9.71402 8.47907 11.9943 9.55337 7.82677 5.41882 numMergedOcc 0
15 mol 128 unq 0 iso 0 dist 7.44771 8.3127 6.59161 9.81998 4.75245 4.64539 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 6.56224 8.95433 10.4303 9.59094 12.1124 4.68409 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 9.16832 8.31276 16.9873 5.98435 12.7653 5.31077 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 9.16832 8.31276 16.9873 8.80672 12.6285 14.0644 numMergedOcc 0
19 mol 134 unq 2 iso 0 dist 9.16832 5.79157 6.34069 5.98435 12.7653 6.74887 numMergedOcc 0
20 mol 134 unq 3 iso 0 dist 9.16832 5.79157 6.34069 8.80672 12.6285 12.6989 numMergedOcc 0
21 mol 134 unq 4 iso 0 dist 9.16832 5.50687 5.70883 5.98435 12.7653 10.9715 numMergedOcc 0
22 mol 134 unq 5 iso 0 dist 9.16832 5.50687 5.70883 8.80672 12.6285 8.96357 numMergedOcc 0
23 mol 134 unq 6 iso 0 dist 9.16832 7.30919 7.91746 5.98435 12.7653 11.4638 numMergedOcc 0
24 mol 134 unq 7 iso 0 dist 9.16832 7.30919 7.91746 8.80672 12.6285 5.9915 numMergedOcc 0
25 mol 178 unq 0 iso 0 dist 7.24761 8.04723 12.0146 5.85439 7.66936 5.25267 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 6.23909 9.25882 9.15058 6.37411 5.33564 12.1001 numMergedOcc 0
27 mol 206 unq 0 iso 0 dist 8.90925 5.82039 5.73775 8.65687 7.73153 4.8585 numMergedOcc 0
28 mol 206 unq 1 iso 0 dist 8.90925 6.22964 8.50775 8.65687 7.73153 5.94313 numMergedOcc 0
29 mol 209 unq 0 iso 0 dist 7.95916 5.92907 12.1401 5.20111 6.18167 6.43758 numMergedOcc 0
30 mol 218 unq 0 iso 0 dist 9.95318 9.79816 15.2473 7.89694 5.22669 11.0503 numMergedOcc 0
31 mol 218 unq 1 iso 0 dist 9.95318 9.79816 15.2473 5.66171 7.85937 7.47048 numMergedOcc 0
32 mol 267 unq 0 iso 0 dist 7.42127 7.94474 6.40111 6.87713 11.1943 7.11419 numMergedOcc 0
33 mol 267 unq 1 iso 0 dist 6.40976 7.94474 5.75453 6.87713 6.07755 7.11419 numMergedOcc 0
34 mol 267 unq 2 iso 0 dist 9.77803 7.94474 9.54325 6.87713 12.843 7.11419 numMergedOcc 0
35 mol 274 unq 0 iso 0 dist 6.89781 9.13226 6.04536 8.38395 5.18671 6.68358 numMergedOcc 0
