0 mol 45 unq 0 iso 0 dist 6.34173 9.33906 6.00679 5.24762 7.06308 11.5679 5.84319 9.44125 12.4561 9.89212 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 6.34173 9.33906 6.00679 5.101 9.43442 13.9885 5.84319 9.44125 12.4561 6.16709 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.70133 9.73086 6.15714 7.4697 5.64598 10.9476 4.73407 7.78587 11.6307 3.85805 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.70133 9.73086 6.15714 5.4148 4.65521 7.4369 4.73407 7.78587 11.6307 5.17781 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 4.65521 8.68662 6.10063 5.4148 8.70133 12.2276 5.17781 7.78587 13.1414 4.73407 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 4.65521 8.68662 6.10063 5.7113 5.64598 11.6739 5.17781 7.78587 13.1414 3.85805 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 4.65521 7.4369 6.15714 5.4148 8.70133 9.73086 5.17781 7.78587 11.6307 4.73407 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 4.65521 7.4369 6.15714 5.7113 5.64598 10.9476 5.17781 7.78587 11.6307 3.85805 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 5.81965 8.3773 7.94489 5.02055 7.06013 12.4353 12.3859 7.03417 11.5595 13.4866 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 5.81965 8.3773 7.94489 8.95922 9.70512 11.1432 12.3859 7.03417 11.5595 11.3622 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.93652 8.07097 4.22522 5.67306 9.54444 11.7578 6.75624 9.75587 12.9164 3.80599 numMergedOcc 0
11 mol 142 unq 0 iso 0 dist 7.15475 7.81207 5.26247 5.32922 9.07935 6.14151 4.05822 5.69323 5.42679 4.7832 numMergedOcc 0
12 mol 142 unq 1 iso 0 dist 7.15475 7.18002 12.2806 5.32922 9.07935 10.7696 4.05822 5.69323 11.1832 4.7832 numMergedOcc 0
13 mol 142 unq 2 iso 0 dist 9.07935 6.14151 5.26247 5.32922 7.15475 7.81207 4.7832 5.69323 5.42679 4.05822 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 9.52936 8.97589 9.68365 5.43299 9.15417 13.121 7.44296 9.46392 12.3204 5.48752 numMergedOcc 0
15 mol 184 unq 1 iso 0 dist 9.52936 5.96423 11.6883 5.43299 9.15417 11.2903 7.44296 9.46392 11.9064 5.48752 numMergedOcc 0
16 mol 213 unq 0 iso 0 dist 8.45368 7.94911 5.9858 13.7995 9.59129 15.41 9.90805 7.77553 12.875 4.67313 numMergedOcc 0
17 mol 213 unq 1 iso 0 dist 9.59129 8.21793 4.89372 13.7995 8.45368 12.6769 4.67313 7.77553 9.02881 9.90805 numMergedOcc 0
18 mol 234 unq 0 iso 0 dist 7.85175 7.81215 10.5304 5.88703 6.25105 11.6391 12.7879 7.91374 11.3034 13.8525 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 5.9216 8.82351 4.40419 5.40359 9.90142 11.1059 4.56594 8.54425 11.5891 8.71924 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 7.48005 9.63573 9.98303 12.5353 8.37865 17.0253 6.65799 9.28024 15.6825 9.53031 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 7.48005 7.66153 14.0829 12.5353 8.37865 20.1127 6.65799 9.28024 13.4331 9.53031 numMergedOcc 0
