0 mol 92 unq 0 iso 0 dist 5.89394 10.9738 6.95572 10.2494 6.99832 5.39745 10.423 12.3604 12.1199 9.28578 numMergedOcc 0
1 mol 114 unq 0 iso 0 dist 5.87387 10.6075 6.84011 10.1667 5.31367 8.809 11.3694 6.34525 8.51024 8.06525 numMergedOcc 0
2 mol 143 unq 0 iso 0 dist 8.72463 16.1752 7.78652 12.3708 6.01455 6.46089 8.25783 7.63338 11.5146 8.1582 numMergedOcc 0
3 mol 143 unq 1 iso 0 dist 8.72463 16.1752 7.78652 12.3708 6.01455 6.46089 12.956 7.25673 6.60479 7.88655 numMergedOcc 0
4 mol 148 unq 0 iso 0 dist 9.7168 6.57631 9.99156 4.7785 6.84291 8.73468 3.97123 11.214 7.23332 8.12589 numMergedOcc 0
5 mol 148 unq 1 iso 0 dist 9.7168 8.40891 8.18085 4.7785 6.84291 9.73927 3.97123 11.214 7.89336 8.12589 numMergedOcc 0
6 mol 150 unq 0 iso 0 dist 9.61132 6.56068 9.8656 4.79493 6.79619 8.73558 3.98367 11.0682 7.35366 8.11592 numMergedOcc 0
7 mol 150 unq 1 iso 0 dist 9.61132 8.32178 7.94889 4.79493 6.79619 9.66129 3.98367 11.0682 7.86976 8.11592 numMergedOcc 0
8 mol 159 unq 0 iso 0 dist 7.78695 11.6088 8.4858 10.7746 4.57561 5.9032 6.47213 7.25742 7.97232 7.13269 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 6.07676 6.10683 6.59025 10.8413 7.07409 6.32777 16.2865 15.2991 11.1881 9.52987 numMergedOcc 0
10 mol 181 unq 1 iso 0 dist 6.96824 4.75774 5.9176 10.5414 9.60512 5.97685 8.90868 11.6558 6.12563 5.49808 numMergedOcc 0
11 mol 181 unq 2 iso 0 dist 6.96824 4.75774 5.9176 13.0459 13.3389 8.9289 8.90868 11.6558 6.12563 7.96291 numMergedOcc 0
12 mol 192 unq 0 iso 0 dist 9.05666 5.76622 8.77999 8.15486 5.71262 7.33225 6.93447 7.24199 3.86183 8.53433 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 7.2527 10.0472 7.57812 11.5738 13.0842 6.87131 9.87539 6.66971 4.77308 9.42618 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 7.2527 10.0651 8.69104 11.5738 13.0842 9.69818 9.87539 6.66971 10.2777 9.42618 numMergedOcc 0
15 mol 238 unq 2 iso 0 dist 7.13194 10.0472 9.24557 11.5738 8.85181 6.87131 9.87539 7.32982 4.77308 9.42618 numMergedOcc 0
16 mol 238 unq 3 iso 0 dist 9.29203 13.6806 7.57812 16.0336 13.0842 6.87131 10.4401 6.66971 4.77308 9.42618 numMergedOcc 0
17 mol 238 unq 4 iso 0 dist 9.29203 16.2617 8.69104 16.0336 13.0842 9.69818 10.4401 6.66971 10.2777 9.42618 numMergedOcc 0
18 mol 238 unq 5 iso 0 dist 7.80166 13.6806 9.24557 16.0336 8.85181 6.87131 10.4401 7.32982 4.77308 9.42618 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 6.49599 10.451 7.98231 15.0738 11.6195 8.71497 15.3317 10.5803 6.31909 6.39918 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 9.47382 10.451 7.08526 15.0738 5.79468 8.71497 15.3317 8.55558 6.31909 6.39918 numMergedOcc 0
