0 mol 26 unq 0 iso 0 dist 9.61029 6.32127 10.9837 14.3476 8.34347 18.1487 9.47439 17.1042 8.01238 23.2552 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 7.51978 5.0478 4.29856 10.6355 9.5589 10.6808 6.11985 6.13476 6.54052 13.1047 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 7.51978 5.0478 4.29856 6.43082 6.83299 6.14538 6.11985 6.13476 6.54052 10.0565 numMergedOcc 0
3 mol 54 unq 2 iso 0 dist 7.51978 5.0478 4.29856 11.7347 8.10861 10.4158 6.11985 6.13476 6.54052 5.77448 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 5.09688 8.22984 9.75737 9.65979 6.45675 15.8683 10.3484 13.8338 6.34031 19.7408 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 5.09688 8.22984 9.75737 12.2879 7.47343 16.5404 10.3484 13.8338 6.34031 21.1211 numMergedOcc 0
6 mol 100 unq 2 iso 0 dist 5.09688 8.22984 9.75737 10.2364 8.86688 16.3323 10.3484 13.8338 6.34031 17.8904 numMergedOcc 0
7 mol 100 unq 3 iso 0 dist 9.26343 6.6157 9.75737 13.666 6.45675 15.8683 8.28108 13.8338 6.34031 19.7408 numMergedOcc 0
8 mol 100 unq 4 iso 0 dist 9.26343 6.6157 9.75737 16.4386 7.47343 16.5404 8.28108 13.8338 6.34031 21.1211 numMergedOcc 0
9 mol 100 unq 5 iso 0 dist 9.26343 6.6157 9.75737 15.5646 8.86688 16.3323 8.28108 13.8338 6.34031 17.8904 numMergedOcc 0
10 mol 125 unq 0 iso 0 dist 8.38646 8.6317 9.20086 6.5815 8.62381 12.7356 5.29844 10.0351 5.05869 9.65381 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 6.38977 8.74658 7.7567 6.82985 8.40312 9.90168 7.19035 12.1672 8.9967 10.0484 numMergedOcc 0
12 mol 131 unq 1 iso 0 dist 9.69757 8.74658 8.23791 6.82985 7.12972 9.90168 7.19035 13.952 8.9967 10.0484 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 6.96824 5.6688 6.29863 8.76337 7.63312 11.9764 6.57868 9.50454 5.87853 11.755 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 9.25528 5.6688 5.6044 18.2027 9.1374 14.2254 6.57868 7.15963 5.87853 14.1493 numMergedOcc 0
15 mol 181 unq 2 iso 0 dist 9.25528 5.6688 5.6044 11.4901 5.98885 9.72611 6.57868 7.15963 5.87853 6.73556 numMergedOcc 0
16 mol 181 unq 3 iso 0 dist 9.25528 5.6688 5.6044 11.9545 9.15386 10.428 6.57868 7.15963 5.87853 5.49666 numMergedOcc 0
17 mol 192 unq 0 iso 0 dist 9.05666 7.27051 12.717 5.64431 5.59424 12.0486 8.2534 12.783 7.57117 11.8902 numMergedOcc 0
18 mol 192 unq 1 iso 0 dist 9.05666 7.27051 12.717 10.8223 7.00794 16.9245 8.2534 12.783 7.57117 14.7168 numMergedOcc 0
19 mol 192 unq 2 iso 0 dist 9.05666 7.35424 14.8459 5.64431 5.59424 12.708 8.2534 12.783 9.9312 11.8902 numMergedOcc 0
20 mol 192 unq 3 iso 0 dist 9.05666 7.35424 14.8459 10.8223 7.00794 18.1003 8.2534 12.783 9.9312 14.7168 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 7.92766 6.21588 5.86489 14.0488 7.10633 11.5776 14.1382 6.73266 9.639 5.57112 numMergedOcc 0
22 mol 204 unq 1 iso 0 dist 7.92766 6.21588 5.86489 7.58285 8.51516 7.32294 14.1382 6.73266 9.639 12.1292 numMergedOcc 0
23 mol 261 unq 0 iso 0 dist 7.26647 5.83338 7.86966 4.95196 7.73141 10.3119 6.15322 6.85589 9.9247 5.85483 numMergedOcc 0
24 mol 261 unq 1 iso 0 dist 7.26647 5.83338 7.86966 9.29412 8.43057 11.0912 6.15322 6.85589 9.9247 4.31412 numMergedOcc 0
25 mol 261 unq 2 iso 0 dist 7.7309 5.83338 6.65675 9.29412 6.05727 11.0912 6.15322 6.68878 9.9247 4.31412 numMergedOcc 0
26 mol 282 unq 0 iso 0 dist 7.70229 5.94224 8.2662 8.93697 8.76532 10.6906 5.9433 7.34596 9.88071 4.36798 numMergedOcc 0
27 mol 282 unq 1 iso 0 dist 7.90792 5.94224 6.6348 8.93697 6.33524 10.6906 5.9433 7.12228 9.88071 4.36798 numMergedOcc 0
