0 mol 48 unq 0 iso 0 dist 8.31952 9.69031 6.07052 10.3214 8.82805 9.17838 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 9.2958 10.4541 7.46095 9.58389 4.85247 6.72869 numMergedOcc 0
2 mol 76 unq 1 iso 0 dist 9.2958 10.4541 7.46095 7.63534 6.45686 9.85905 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 6.9297 3.89377 7.43127 7.79726 6.79583 9.76379 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 8.62881 9.82571 6.59716 15.0671 13.9524 9.36001 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 8.62881 14.1914 6.87506 16.9081 9.44576 7.06939 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 9.45854 5.75544 8.93769 12.3166 10.9681 7.13008 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 5.93497 4.03471 5.36587 11.2833 7.64054 7.7988 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 5.93497 4.03471 5.36587 12.8884 10.9474 9.40824 numMergedOcc 0
9 mol 112 unq 2 iso 0 dist 5.93497 4.03471 5.36587 6.5258 5.76098 4.22363 numMergedOcc 0
10 mol 184 unq 0 iso 0 dist 9.13228 10.5797 7.58375 13.4166 8.08596 5.96423 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 9.639 13.3588 9.48625 6.73266 5.86489 7.9133 numMergedOcc 0
12 mol 229 unq 0 iso 0 dist 8.72409 5.41869 9.37336 10.3189 6.65022 7.27993 numMergedOcc 0
13 mol 229 unq 1 iso 0 dist 8.72409 5.41869 9.37336 11.4712 5.42069 9.51168 numMergedOcc 0
14 mol 229 unq 2 iso 0 dist 8.72409 5.41869 9.37336 11.1405 10.2411 6.95201 numMergedOcc 0
15 mol 234 unq 0 iso 0 dist 9.33455 4.84686 7.77911 4.91961 10.0059 7.81215 numMergedOcc 0
16 mol 234 unq 1 iso 0 dist 9.33455 4.84686 7.77911 7.14333 5.08515 5.64285 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 9.26512 3.45727 8.95511 6.92721 11.169 6.73665 numMergedOcc 0
18 mol 239 unq 1 iso 0 dist 9.26512 3.45727 8.95511 10.6009 18.2672 9.34438 numMergedOcc 0
19 mol 239 unq 2 iso 0 dist 9.26512 3.45727 8.95511 12.0468 13.9678 9.35949 numMergedOcc 0
20 mol 239 unq 3 iso 0 dist 5.82804 3.45727 5.85002 6.92721 5.88931 6.73665 numMergedOcc 0
21 mol 239 unq 4 iso 0 dist 5.82804 3.45727 5.85002 10.6009 6.22471 9.34438 numMergedOcc 0
22 mol 239 unq 5 iso 0 dist 5.82804 3.45727 5.85002 12.0468 9.88845 9.35949 numMergedOcc 0
23 mol 252 unq 0 iso 0 dist 8.35637 12.3685 8.09509 12.8024 6.35641 7.15764 numMergedOcc 0
24 mol 267 unq 0 iso 0 dist 6.55433 6.43871 6.27154 10.8509 9.14203 8.8293 numMergedOcc 0
25 mol 267 unq 1 iso 0 dist 6.55433 6.43871 6.27154 6.19138 8.37094 7.34981 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 9.7625 15.23 9.26157 11.1337 6.28695 9.57499 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 9.7625 15.23 9.26157 12.6823 4.37645 5.46926 numMergedOcc 0
28 mol 277 unq 2 iso 0 dist 9.7625 15.23 9.26157 9.64889 7.70529 8.9682 numMergedOcc 0
