0 mol 24 unq 0 iso 0 dist 6.11056 10.4744 8.86116 10.4056 5.11636 7.95042 15.446 10.4452 9.20254 8.14598 numMergedOcc 0
1 mol 95 unq 0 iso 0 dist 9.65047 5.69671 8.03644 12.0576 15.6249 8.27883 6.89158 14.7115 7.95165 8.23073 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 5.9747 10.4417 6.48948 7.34638 7.03983 7.02507 12.2811 10.8197 5.82029 6.84952 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 4.50572 9.63267 6.48948 6.0995 7.03983 7.02507 12.1911 10.8197 5.82029 6.84952 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 5.02717 5.28901 7.30858 6.31773 5.03039 6.04595 10.7419 12.411 6.06198 8.86846 numMergedOcc 0
5 mol 129 unq 0 iso 0 dist 6.38163 10.0961 5.83384 14.5306 9.00231 5.58833 13.7767 10.514 6.29782 9.71342 numMergedOcc 0
6 mol 129 unq 1 iso 0 dist 6.38163 10.0961 5.83384 14.5306 9.00231 5.58833 12.2874 10.482 5.99695 8.57774 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 5.49877 3.96103 8.70949 5.82945 4.97996 6.93139 7.43279 9.05626 7.09664 9.67398 numMergedOcc 0
8 mol 130 unq 1 iso 0 dist 5.49877 3.96103 8.70949 5.82945 4.97996 6.93139 9.91399 11.7446 7.49673 7.15213 numMergedOcc 0
9 mol 132 unq 0 iso 0 dist 8.7366 4.90475 7.7059 10.6383 12.9631 6.89918 11.926 17.544 11.6877 8.62632 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 8.07256 10.4039 8.56324 12.0918 5.39112 6.59889 12.4289 11.2249 6.62991 9.17216 numMergedOcc 0
11 mol 152 unq 1 iso 0 dist 8.07256 10.4039 8.56324 12.0918 5.39112 6.59889 17.5469 13.9298 7.17016 9.40483 numMergedOcc 0
12 mol 152 unq 2 iso 0 dist 8.07256 10.4039 8.56324 11.756 4.84714 8.9192 12.4289 11.2249 6.62991 9.44172 numMergedOcc 0
13 mol 152 unq 3 iso 0 dist 8.07256 11.1874 6.70283 12.0918 5.39112 6.70693 12.4289 11.2249 13.4463 9.17216 numMergedOcc 0
14 mol 152 unq 4 iso 0 dist 8.07256 11.1874 6.70283 12.0918 5.39112 6.70693 17.5469 13.9298 11.3742 9.40483 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 9.90531 8.43102 5.59424 17.2469 9.53265 9.78634 12.6678 11.1541 6.34098 9.63224 numMergedOcc 0
16 mol 192 unq 1 iso 0 dist 9.90531 8.43102 5.59424 11.6646 6.35474 5.64942 12.6678 11.1541 6.34098 6.98794 numMergedOcc 0
17 mol 192 unq 2 iso 0 dist 9.90531 4.96445 7.00794 11.6646 6.35474 6.97962 12.6678 11.1541 9.57246 6.98794 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 9.05929 4.32403 8.04248 10.5185 4.66414 8.23087 6.0905 6.73134 5.52669 9.67162 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 9.94315 12.521 5.72887 7.13727 7.06793 9.72188 6.31101 11.7876 11.2453 9.67281 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 8.59074 9.18011 5.72887 8.56975 7.06793 9.72188 4.13744 11.7876 11.2453 9.67281 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 6.2365 4.7157 5.72887 10.5721 7.06793 9.72188 9.26896 11.7876 11.2453 9.67281 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 5.90645 10.4985 8.13497 16.793 12.2293 9.46361 20.7962 16.342 11.0067 8.2518 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 9.12507 5.59901 5.30224 4.95855 7.09907 6.9899 6.92619 14.9752 12.3834 8.40328 numMergedOcc 0
