0 mol 51 unq 0 iso 0 dist 8.84151 9.42071 10.9244 10.1569 16.2856 7.76282 10.2429 14.9192 7.40639 4.146 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 6.70095 8.83047 5.75171 14.3035 12.7909 7.09169 5.86191 8.56916 6.2676 9.22034 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 7.43409 6.78356 8.80788 14.6957 15.7264 8.63486 11.5077 13.4395 5.07125 6.15355 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.45777 8.91206 6.88106 12.3394 6.3777 8.03303 13.1036 11.8538 7.69861 8.96557 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 8.15664 5.22996 8.98815 6.09495 7.11695 6.49956 7.25403 11.295 7.0561 4.3481 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 5.2184 8.84146 6.3404 13.7656 13.0414 7.77116 15.9454 13.3997 9.6121 6.9194 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 5.2184 8.84146 6.3404 13.7656 13.0414 7.77116 17.7274 15.6381 9.57341 9.68677 numMergedOcc 0
7 mol 183 unq 0 iso 0 dist 8.84987 6.40448 9.27924 5.72 12.4753 8.54827 5.62792 7.50455 9.20493 6.2342 numMergedOcc 0
8 mol 195 unq 0 iso 0 dist 7.2833 5.46768 4.52076 7.00308 10.999 6.60567 4.79025 9.20541 6.34234 5.41635 numMergedOcc 0
9 mol 195 unq 1 iso 0 dist 7.2833 5.46768 4.52076 7.00308 10.999 6.60567 6.01032 6.65077 7.87972 11.9954 numMergedOcc 0
10 mol 195 unq 2 iso 0 dist 7.2833 5.46768 4.52076 5.34788 7.04524 7.62942 4.79025 9.20541 6.34234 6.04871 numMergedOcc 0
11 mol 195 unq 3 iso 0 dist 7.2833 5.46768 4.52076 5.34788 7.04524 7.62942 6.01032 6.65077 7.87972 8.04534 numMergedOcc 0
12 mol 229 unq 0 iso 0 dist 7.39596 9.3376 10.7216 12.696 12.0016 8.92743 11.8662 15.9241 6.42694 11.0437 numMergedOcc 0
13 mol 229 unq 1 iso 0 dist 7.39596 9.3376 10.7216 12.696 12.0016 8.92743 6.73326 12.8325 7.63917 11.9989 numMergedOcc 0
14 mol 229 unq 2 iso 0 dist 7.39596 9.3376 10.7216 11.6366 14.7928 8.08082 11.8662 15.9241 6.42694 5.66641 numMergedOcc 0
15 mol 229 unq 3 iso 0 dist 7.39596 9.3376 10.7216 11.6366 14.7928 8.08082 6.73326 12.8325 7.63917 7.4175 numMergedOcc 0
16 mol 229 unq 4 iso 0 dist 7.39596 9.3376 10.7216 6.44004 9.49008 5.77318 11.8662 15.9241 6.42694 7.46815 numMergedOcc 0
17 mol 229 unq 5 iso 0 dist 7.39596 9.3376 10.7216 6.44004 9.49008 5.77318 6.73326 12.8325 7.63917 5.37687 numMergedOcc 0
18 mol 229 unq 6 iso 0 dist 7.39596 9.3376 10.7216 10.442 15.6535 8.19603 11.8662 15.9241 6.42694 6.62766 numMergedOcc 0
19 mol 229 unq 7 iso 0 dist 7.39596 9.3376 10.7216 10.442 15.6535 8.19603 6.73326 12.8325 7.63917 6.03803 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 8.8646 9.98606 16.41 6.01492 14.8032 7.71657 9.91008 18.5741 8.20485 4.74189 numMergedOcc 0
