0 mol 25 unq 0 iso 0 dist 6.00307 11.2808 9.48085 13.1745 10.9391 9.49421 10.0899 6.08585 6.53269 5.77929 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 6.00307 11.2808 9.48085 13.1745 10.9391 9.49421 14.0727 9.15781 9.81524 6.68639 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.92438 3.73561 8.66539 7.66055 5.79773 5.38524 10.8203 6.49081 9.02642 9.37804 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 9.92438 3.73561 8.66539 11.2215 10.8779 8.69057 10.8203 6.49081 9.02642 14.0374 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 7.66055 3.73561 5.38524 9.92438 5.79773 8.66539 10.8203 9.37804 9.02642 6.49081 numMergedOcc 0
5 mol 58 unq 3 iso 0 dist 7.66055 3.73561 5.38524 11.2215 5.47421 8.69057 10.8203 9.37804 9.02642 14.0374 numMergedOcc 0
6 mol 60 unq 0 iso 0 dist 8.46609 12.2249 7.57295 13.7633 5.67502 8.4312 16.1537 9.49968 6.63448 5.94827 numMergedOcc 0
7 mol 60 unq 1 iso 0 dist 8.46609 12.2249 7.57295 12.0878 6.54743 7.48086 16.1537 9.49968 6.63448 5.32257 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 7.63534 10.4541 9.85905 9.58389 10.2879 6.72869 9.2958 6.45686 7.46095 4.85247 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 8.51543 5.4968 6.72869 15.1609 10.2879 9.85905 11.2779 4.85247 7.46095 6.45686 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 6.5258 4.03471 4.22363 11.2833 6.34999 7.7988 9.67842 4.35926 8.06134 6.41459 numMergedOcc 0
11 mol 112 unq 1 iso 0 dist 6.5258 4.03471 4.22363 11.2833 6.34999 7.7988 5.93497 5.76098 5.36587 7.64054 numMergedOcc 0
12 mol 112 unq 2 iso 0 dist 6.5258 4.03471 4.22363 12.8884 6.72751 9.40824 9.67842 4.35926 8.06134 7.18484 numMergedOcc 0
13 mol 112 unq 3 iso 0 dist 6.5258 4.03471 4.22363 12.8884 6.72751 9.40824 5.93497 5.76098 5.36587 10.9474 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 8.75736 14.0091 9.00918 17.9377 14.069 9.10524 15.5174 14.2198 7.83568 6.98221 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 6.76166 9.88169 9.00918 15.8865 14.069 9.10524 12.8792 14.2198 7.83568 6.98221 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 8.9413 14.075 7.81215 16.0461 10.2693 5.64285 12.7701 10.0059 7.77911 5.08515 numMergedOcc 0
17 mol 234 unq 1 iso 0 dist 4.91961 4.84686 7.81215 7.14333 10.2693 5.64285 9.33455 10.0059 7.77911 5.08515 numMergedOcc 0
18 mol 234 unq 2 iso 0 dist 7.14333 4.84686 5.64285 4.91961 10.2693 7.81215 9.33455 5.08515 7.77911 10.0059 numMergedOcc 0
19 mol 235 unq 0 iso 0 dist 8.79626 9.92254 5.1823 10.0531 7.218 8.19317 14.0786 6.46722 8.97952 6.82855 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 6.92721 3.45727 6.73665 10.6009 11.347 9.34438 9.26512 11.169 8.95511 18.2672 numMergedOcc 0
21 mol 239 unq 1 iso 0 dist 6.92721 3.45727 6.73665 10.6009 11.347 9.34438 5.82804 5.88931 5.85002 6.22471 numMergedOcc 0
22 mol 239 unq 2 iso 0 dist 6.92721 3.45727 6.73665 12.0468 7.97994 9.35949 9.26512 11.169 8.95511 13.9678 numMergedOcc 0
23 mol 239 unq 3 iso 0 dist 6.92721 3.45727 6.73665 12.0468 7.97994 9.35949 5.82804 5.88931 5.85002 9.88845 numMergedOcc 0
24 mol 267 unq 0 iso 0 dist 6.19138 6.43871 7.34981 10.8509 5.91646 8.8293 6.55433 8.37094 6.27154 9.14203 numMergedOcc 0
25 mol 267 unq 1 iso 0 dist 6.54381 5.40798 7.34981 11.0897 5.91646 8.8293 9.29405 8.37094 6.27154 9.14203 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 9.64889 15.23 8.9682 11.1337 11.8268 9.57499 9.7625 7.70529 9.26157 6.28695 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 9.64889 15.23 8.9682 12.6823 7.08227 5.46926 9.7625 7.70529 9.26157 4.37645 numMergedOcc 0
28 mol 277 unq 2 iso 0 dist 6.70123 15.3157 9.57499 13.8031 7.69449 5.46926 11.2514 6.28695 9.26157 4.37645 numMergedOcc 0
29 mol 277 unq 3 iso 0 dist 6.70123 15.3157 9.57499 15.6541 11.8268 8.9682 11.2514 6.28695 9.26157 7.70529 numMergedOcc 0
