0 mol 76 unq 0 iso 0 dist 9.3711 14.388 8.23026 9.64988 8.77077 6.5901 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 9.48388 7.72576 7.06939 9.5868 6.87506 9.44576 numMergedOcc 0
2 mol 105 unq 0 iso 0 dist 9.11206 7.16724 9.16718 15.02 7.77089 11.0132 numMergedOcc 0
3 mol 105 unq 1 iso 0 dist 9.11206 7.70748 7.94633 15.02 7.77089 9.96719 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 9.58666 6.64056 7.7988 11.8321 8.06134 6.41459 numMergedOcc 0
5 mol 112 unq 1 iso 0 dist 9.58666 6.64056 7.7988 12.465 5.36587 7.64054 numMergedOcc 0
6 mol 112 unq 2 iso 0 dist 9.58666 6.29647 9.40824 11.8321 8.06134 7.18484 numMergedOcc 0
7 mol 112 unq 3 iso 0 dist 9.58666 6.29647 9.40824 12.465 5.36587 10.9474 numMergedOcc 0
8 mol 112 unq 4 iso 0 dist 9.58666 9.6717 4.22363 11.8321 8.06134 4.35926 numMergedOcc 0
9 mol 112 unq 5 iso 0 dist 9.58666 9.6717 4.22363 12.465 5.36587 5.76098 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 6.39945 5.90895 9.77575 5.8134 6.18678 6.36778 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 7.14258 12.9965 9.77575 10.4975 6.18678 6.36778 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 5.44814 5.4432 5.37047 6.48478 5.06564 6.48978 numMergedOcc 0
13 mol 143 unq 1 iso 0 dist 5.44814 5.4432 5.37047 7.09076 7.5373 5.20762 numMergedOcc 0
14 mol 162 unq 0 iso 0 dist 7.76112 8.35998 7.45998 4.55978 8.33407 10.1865 numMergedOcc 0
15 mol 170 unq 0 iso 0 dist 8.95292 8.83341 9.08274 11.6623 6.47164 9.275 numMergedOcc 0
16 mol 170 unq 1 iso 0 dist 8.95292 8.83341 9.08274 10.9608 9.65126 12.5696 numMergedOcc 0
17 mol 170 unq 2 iso 0 dist 8.95292 11.2005 9.51256 11.6623 6.47164 4.34698 numMergedOcc 0
18 mol 170 unq 3 iso 0 dist 8.95292 11.2005 9.51256 10.9608 9.65126 5.75144 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 5.07975 5.66819 5.56538 10.2815 8.43195 7.75656 numMergedOcc 0
20 mol 222 unq 1 iso 0 dist 4.85015 5.66819 7.48954 10.2815 8.23406 7.75656 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 8.83742 10.9485 8.08349 6.47466 5.05368 10.7174 numMergedOcc 0
22 mol 224 unq 1 iso 0 dist 8.83742 5.52688 9.78218 6.47466 5.05368 6.51732 numMergedOcc 0
23 mol 232 unq 0 iso 0 dist 9.11418 4.90814 6.71524 5.39184 9.9183 4.9377 numMergedOcc 0
24 mol 235 unq 0 iso 0 dist 8.31344 15.2767 8.19317 13.3219 8.97952 6.82855 numMergedOcc 0
25 mol 235 unq 1 iso 0 dist 8.31344 11.9322 5.1823 13.3219 8.97952 6.46722 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 7.69491 5.29737 6.73665 13.0625 8.95511 11.169 numMergedOcc 0
27 mol 239 unq 1 iso 0 dist 7.69491 5.29737 6.73665 4.88461 5.85002 5.88931 numMergedOcc 0
28 mol 239 unq 2 iso 0 dist 7.69491 10.9704 9.34438 13.0625 8.95511 18.2672 numMergedOcc 0
29 mol 239 unq 3 iso 0 dist 7.69491 10.9704 9.34438 4.88461 5.85002 6.22471 numMergedOcc 0
30 mol 239 unq 4 iso 0 dist 7.69491 12.551 9.35949 13.0625 8.95511 13.9678 numMergedOcc 0
31 mol 239 unq 5 iso 0 dist 7.69491 12.551 9.35949 4.88461 5.85002 9.88845 numMergedOcc 0
32 mol 239 unq 6 iso 0 dist 6.64008 11.4465 6.73665 15.1473 8.95511 11.169 numMergedOcc 0
33 mol 239 unq 7 iso 0 dist 6.64008 11.4465 6.73665 6.62656 5.85002 5.88931 numMergedOcc 0
34 mol 239 unq 8 iso 0 dist 6.64008 5.08687 9.34438 15.1473 8.95511 18.2672 numMergedOcc 0
35 mol 239 unq 9 iso 0 dist 6.64008 5.08687 9.34438 6.62656 5.85002 6.22471 numMergedOcc 0
36 mol 239 unq 10 iso 0 dist 6.64008 12.4215 9.35949 15.1473 8.95511 13.9678 numMergedOcc 0
37 mol 239 unq 11 iso 0 dist 6.64008 12.4215 9.35949 6.62656 5.85002 9.88845 numMergedOcc 0
38 mol 252 unq 0 iso 0 dist 4.54745 5.26867 7.15764 5.53685 8.09509 6.35641 numMergedOcc 0
39 mol 273 unq 0 iso 0 dist 5.63226 9.45651 6.31969 6.30473 5.61969 7.81483 numMergedOcc 0
40 mol 273 unq 1 iso 0 dist 5.63226 9.45651 6.31969 8.96178 9.0277 7.92179 numMergedOcc 0
41 mol 273 unq 2 iso 0 dist 9.45329 7.52275 9.59325 5.62662 6.35532 4.60101 numMergedOcc 0
42 mol 279 unq 0 iso 0 dist 8.9352 5.34376 6.35028 13.4771 7.17958 12.6502 numMergedOcc 0
43 mol 279 unq 1 iso 0 dist 5.8845 5.86731 6.35028 12.7014 7.17958 12.6502 numMergedOcc 0
