0 mol 27 unq 0 iso 0 dist 5.80623 8.21453 7.18409 5.45556 7.45532 5.80624 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 5.80623 6.8422 6.21163 5.45556 7.45532 10.2629 numMergedOcc 0
2 mol 27 unq 2 iso 0 dist 7.24775 14.1996 7.18409 14.2929 7.45532 5.80624 numMergedOcc 0
3 mol 27 unq 3 iso 0 dist 7.24775 10.2292 6.21163 14.2929 7.45532 10.2629 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 7.3797 11.3174 6.34966 8.99948 8.91427 6.48823 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 8.22984 11.2351 9.95103 6.16378 9.5669 6.04919 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 6.6157 8.46662 9.95103 5.69359 9.5669 6.04919 numMergedOcc 0
7 mol 100 unq 2 iso 0 dist 7.37771 10.5049 9.95103 10.1726 9.5669 6.04919 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 6.73172 12.9793 9.69961 12.468 9.77017 4.26804 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 7.85045 9.09348 6.63731 5.83414 8.79367 8.27695 numMergedOcc 0
10 mol 120 unq 0 iso 0 dist 8.41086 6.56678 9.37051 6.69527 6.03352 9.0525 numMergedOcc 0
11 mol 120 unq 1 iso 0 dist 7.41599 8.15855 9.37051 6.25626 6.03352 9.0525 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 9.45931 5.49686 7.35385 12.0446 6.73983 12.6656 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 9.45931 5.49686 7.35385 15.1652 8.6387 14.7644 numMergedOcc 0
14 mol 141 unq 2 iso 0 dist 6.49728 13.8322 7.35385 6.27844 6.73983 12.6656 numMergedOcc 0
15 mol 141 unq 3 iso 0 dist 6.49728 13.8322 7.35385 6.2491 8.6387 14.7644 numMergedOcc 0
16 mol 141 unq 4 iso 0 dist 6.35397 5.49686 8.35864 12.0446 7.64956 12.6656 numMergedOcc 0
17 mol 226 unq 0 iso 0 dist 9.20651 18.1288 9.61639 11.576 6.26945 11.7881 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 8.85568 9.22288 7.17024 5.98086 7.95359 11.481 numMergedOcc 0
19 mol 253 unq 0 iso 0 dist 7.06589 14.3975 9.6479 5.37783 8.15091 12.0513 numMergedOcc 0
20 mol 253 unq 1 iso 0 dist 8.70383 12.7693 9.6479 14.5125 8.15091 12.0513 numMergedOcc 0
21 mol 256 unq 0 iso 0 dist 8.95444 9.56036 7.40057 7.41011 8.89892 13.0191 numMergedOcc 0
22 mol 256 unq 1 iso 0 dist 7.53508 13.694 7.40057 11.8833 8.89892 13.0191 numMergedOcc 0
