0 mol 54 unq 0 iso 0 dist 6.04354 12.2182 9.20373 17.7789 15.0205 6.14538 14.6284 10.042 4.29856 6.83299 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 8.34361 11.5332 8.60653 5.97635 5.65405 7.21717 10.7219 14.4402 15.293 9.5589 numMergedOcc 0
2 mol 54 unq 2 iso 0 dist 8.34361 11.5332 8.60653 5.97635 5.65405 7.21717 6.76462 10.5929 13.86 6.83299 numMergedOcc 0
3 mol 54 unq 3 iso 0 dist 8.34361 11.5332 8.60653 5.97635 5.65405 7.21717 13.2619 6.54183 5.99981 8.10861 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 9.91313 11.5851 5.67362 10.5781 5.46309 9.25641 7.49081 9.70415 13.5488 6.65721 numMergedOcc 0
5 mol 130 unq 0 iso 0 dist 4.69926 6.84415 6.87196 13.5125 10.9365 7.96646 12.3995 13.2314 6.73735 9.28393 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 7.46875 4.34786 5.43662 7.81337 5.29825 8.70296 11.4498 12.0117 14.2045 6.85062 numMergedOcc 0
7 mol 156 unq 0 iso 0 dist 7.27593 4.33572 6.10069 11.409 9.92385 9.47433 14.4501 15.4121 11.9952 7.44554 numMergedOcc 0
8 mol 180 unq 0 iso 0 dist 9.19555 4.11186 9.59587 5.80441 6.93557 5.85827 9.82186 16.3276 8.78204 9.62337 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 9.14877 6.78739 5.25309 9.84952 7.07865 5.94469 4.3158 9.79901 7.77758 7.81386 numMergedOcc 0
10 mol 181 unq 1 iso 0 dist 9.14877 6.78739 5.25309 9.84952 7.07865 5.94469 12.9554 13.7928 12.5387 7.63312 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 6.64749 4.11297 5.77158 10.4693 5.87924 7.66165 5.97308 5.16813 5.4141 9.70748 numMergedOcc 0
12 mol 227 unq 0 iso 0 dist 8.18597 3.86003 6.65275 8.7511 5.841 5.41321 12.4497 14.1483 10.7656 9.34734 numMergedOcc 0
13 mol 227 unq 1 iso 0 dist 8.18597 3.86003 6.65275 8.7511 5.841 5.41321 14.2737 12.9898 10.9607 7.22101 numMergedOcc 0
14 mol 227 unq 2 iso 0 dist 8.18597 3.86003 6.65275 8.7511 5.841 5.41321 12.7838 14.1659 9.72615 8.65997 numMergedOcc 0
15 mol 227 unq 3 iso 0 dist 8.18597 3.86003 6.65275 8.7511 5.841 5.41321 5.18659 9.8971 5.10635 7.56888 numMergedOcc 0
16 mol 227 unq 4 iso 0 dist 8.18597 3.86003 6.65275 8.7511 5.841 5.41321 5.92777 7.71761 6.48027 7.55216 numMergedOcc 0
17 mol 273 unq 0 iso 0 dist 9.83374 14.6007 8.16005 16.347 6.69098 8.49177 22.5861 13.6003 9.25493 9.01049 numMergedOcc 0
18 mol 273 unq 1 iso 0 dist 5.75335 7.55971 8.16005 10.1523 6.69098 8.49177 15.7613 13.6003 9.25493 9.01049 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 9.2899 7.1944 6.68183 12.9938 5.81799 7.07965 18.0757 13.4688 10.8848 8.2734 numMergedOcc 0
