0 mol 26 unq 0 iso 0 dist 9.7522 15.0931 8.34347 17.8374 10.6756 5.69955 17.1346 13.6027 8.25132 6.73167 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.7522 15.0931 8.34347 17.8374 10.6756 5.69955 19.8472 12.8365 4.94205 7.40948 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 6.88695 5.3315 8.34347 13.1078 13.2876 8.44506 12.2008 14.8317 7.11305 6.38243 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 16.6874 9.06158 9.93832 16.7913 10.0168 10.8828 7.24352 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 16.6874 9.06158 8.60739 16.7913 10.0168 5.07458 7.24352 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 7.7978 6.8958 7.17396 15.0717 11.0904 8.64015 12.5854 12.4823 6.08003 7.17026 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 9.55751 5.85228 7.17396 14.4867 11.0904 8.64015 10.4376 12.4823 6.08003 7.17026 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 7.15985 6.68714 9.60462 10.7968 17.3924 9.92283 12.7169 19.476 12.6108 5.43933 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 7.15985 6.68714 9.60462 10.7968 17.3924 9.92283 14.148 19.9429 10.9279 4.99604 numMergedOcc 0
9 mol 112 unq 2 iso 0 dist 7.15985 6.68714 9.60462 10.7968 17.3924 9.92283 3.61827 10.2348 5.43385 7.44041 numMergedOcc 0
10 mol 112 unq 3 iso 0 dist 7.15985 6.68714 9.60462 10.7968 17.3924 9.92283 13.2265 19.2666 13.764 9.97483 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 11.9843 5.61704 5.72642 4.57067 6.04595 5.03039 8.4965 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 4.98864 10.9437 7.88312 11.2871 7.3094 5.72642 13.6414 11.8378 5.03039 8.4965 numMergedOcc 0
13 mol 115 unq 2 iso 0 dist 7.95871 12.0354 7.88312 14.361 7.3094 5.72642 14.8066 11.8378 5.03039 8.4965 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 5.63005 10.5268 8.73993 9.15988 3.78311 7.77116 15.5571 12.31 6.9194 9.6121 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 5.63005 10.5268 8.73993 9.15988 3.78311 7.77116 5.92411 7.64052 9.68677 9.57341 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 5.49877 3.96103 8.70949 7.39532 5.97111 8.33077 9.25976 10.4778 7.21225 6.5739 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 6.31125 4.29914 7.12972 10.5132 9.32969 6.92648 12.6342 14.4508 8.57203 6.78801 numMergedOcc 0
18 mol 131 unq 1 iso 0 dist 6.31125 5.59449 6.85062 10.5132 9.32969 9.29384 12.6342 14.4508 12.6005 6.78801 numMergedOcc 0
19 mol 152 unq 0 iso 0 dist 8.07256 10.4039 8.56324 16.5342 9.35627 9.77552 20.4119 14.437 12.4535 6.92726 numMergedOcc 0
20 mol 152 unq 1 iso 0 dist 8.07256 11.1874 6.70283 16.5342 9.35627 8.28642 20.4119 14.437 9.84297 6.92726 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 18.2547 12.9587 8.38865 13.9099 10.3016 4.1511 5.28771 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 9.89665 11.247 7.68742 16.2625 9.05842 8.50331 22.4267 16.07 11.5307 9.14068 numMergedOcc 0
23 mol 236 unq 1 iso 0 dist 5.66569 4.15973 6.27581 8.38439 7.00028 8.50331 7.9415 10.0129 11.5307 9.14068 numMergedOcc 0
24 mol 236 unq 2 iso 0 dist 6.11137 9.01197 6.27581 9.30828 7.00028 8.50331 5.45156 10.0129 11.5307 9.14068 numMergedOcc 0
