0 mol 19 unq 0 iso 0 dist 6.79758 12.9465 9.3147 7.65931 7.84393 10.5285 12.7771 9.01721 13.1233 7.82074 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 6.79758 4.48525 9.79426 7.65931 7.84393 9.84922 12.7771 9.01721 13.8602 7.82074 numMergedOcc 0
2 mol 114 unq 0 iso 0 dist 9.26301 12.5962 5.31281 15.8173 9.24515 7.18757 11.1736 5.24877 8.42445 7.5732 numMergedOcc 0
3 mol 114 unq 1 iso 0 dist 9.26301 17.733 8.9922 15.8173 9.24515 7.13921 11.1736 5.24877 10.2889 7.5732 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 5.2929 5.93926 7.67341 6.06993 8.93552 11.909 6.61066 6.07331 11.6732 4.99221 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 5.2929 5.93926 7.67341 5.29965 8.35604 5.39296 6.3982 5.3967 6.7225 5.11551 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 5.2929 5.93926 7.67341 5.29965 8.35604 5.39296 11.6013 11.9798 10.2695 7.11972 numMergedOcc 0
7 mol 143 unq 0 iso 0 dist 9.6112 13.4643 6.68364 8.99682 5.30872 5.4432 11.3052 6.3915 9.32441 5.99315 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 8.9867 8.26458 6.43585 5.22923 6.86297 5.43796 8.58465 8.03427 12.4816 8.87694 numMergedOcc 0
9 mol 186 unq 1 iso 0 dist 8.9867 8.26458 6.43585 5.22923 6.86297 5.43796 13.2127 7.56632 10.9329 9.09754 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 9.64006 16.6231 7.86207 15.7646 8.9077 4.90657 18.1733 10.6943 9.8711 9.23153 numMergedOcc 0
11 mol 220 unq 1 iso 0 dist 9.64006 16.6231 7.86207 15.7646 8.9077 4.90657 20.0689 15.396 12.6756 8.24498 numMergedOcc 0
12 mol 229 unq 0 iso 0 dist 5.95601 5.01153 8.36396 6.23286 8.0007 11.2438 9.67544 5.29674 12.1937 9.87838 numMergedOcc 0
13 mol 236 unq 0 iso 0 dist 7.73969 10.4934 9.13126 5.81354 6.73134 6.0258 6.67907 5.52669 9.10613 8.04248 numMergedOcc 0
14 mol 236 unq 1 iso 0 dist 7.73969 10.4934 9.13126 5.81354 6.73134 6.0258 6.0087 5.27568 12.9448 8.35971 numMergedOcc 0
15 mol 241 unq 0 iso 0 dist 9.82576 10.1581 9.174 6.14115 6.40592 4.86437 11.7866 7.93809 9.72526 7.4631 numMergedOcc 0
16 mol 259 unq 0 iso 0 dist 9.98041 11.5702 6.76656 6.00315 6.96379 5.71237 13.2261 10.908 6.77279 8.13497 numMergedOcc 0
17 mol 259 unq 1 iso 0 dist 9.98041 11.5702 6.76656 6.00315 6.96379 5.71237 11.283 12.7595 9.58006 7.88519 numMergedOcc 0
