0 mol 26 unq 0 iso 0 dist 9.15677 16.4682 8.34347 14.1383 8.44506 13.2876 12.9043 10.9837 18.1487 9.5053 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.61029 14.3476 8.34347 9.77186 8.44506 13.2876 6.32127 10.9837 18.1487 9.5053 numMergedOcc 0
2 mol 100 unq 0 iso 0 dist 5.09688 9.65979 6.45675 6.16378 7.12017 9.52882 8.22984 9.75737 15.8683 9.5669 numMergedOcc 0
3 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 6.16378 7.12017 12.6602 8.22984 9.75737 16.5404 9.5669 numMergedOcc 0
4 mol 100 unq 2 iso 0 dist 5.09688 10.2364 8.86688 6.16378 7.12017 14.8674 8.22984 9.75737 16.3323 9.5669 numMergedOcc 0
5 mol 100 unq 3 iso 0 dist 9.26343 13.666 6.45675 5.69359 7.12017 9.52882 6.6157 9.75737 15.8683 9.5669 numMergedOcc 0
6 mol 100 unq 4 iso 0 dist 9.26343 16.4386 7.47343 5.69359 7.12017 12.6602 6.6157 9.75737 16.5404 9.5669 numMergedOcc 0
7 mol 100 unq 5 iso 0 dist 9.26343 15.5646 8.86688 5.69359 7.12017 14.8674 6.6157 9.75737 16.3323 9.5669 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 7.65229 5.43987 9.60462 12.468 8.729 11.0629 6.73172 5.39346 10.1861 9.77017 numMergedOcc 0
9 mol 112 unq 1 iso 0 dist 7.65229 9.7695 7.45389 12.468 8.729 5.48848 6.73172 5.39346 10.15 9.77017 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 5.87387 6.4595 7.5732 11.3694 6.34525 11.128 18.3361 12.7083 19.2926 9.35942 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 8.14071 13.1328 5.83384 10.9764 8.03372 6.67948 11.5412 4.55551 6.28565 9.94578 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 6.38977 6.82985 8.40312 6.53994 8.86329 5.89022 13.1409 10.3369 11.8327 8.92828 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 6.38977 6.82985 8.40312 6.53994 8.86329 5.89022 8.74658 7.7567 9.90168 5.56627 numMergedOcc 0
14 mol 131 unq 2 iso 0 dist 9.69757 6.82985 7.12972 6.53994 8.71039 5.89022 13.1409 7.92788 11.8327 8.92828 numMergedOcc 0
15 mol 131 unq 3 iso 0 dist 9.69757 6.82985 7.12972 6.53994 8.71039 5.89022 8.74658 8.23791 9.90168 5.56627 numMergedOcc 0
16 mol 131 unq 4 iso 0 dist 9.69757 6.82985 7.12972 13.4383 6.92648 9.32969 13.1409 7.92788 11.8327 5.44303 numMergedOcc 0
17 mol 131 unq 5 iso 0 dist 9.69757 6.82985 7.12972 13.4383 6.92648 9.32969 8.74658 8.23791 9.90168 8.50562 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 9.25528 18.2027 9.1374 6.09526 6.51749 13.8722 5.6688 5.6044 14.2254 7.11785 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 9.25528 11.4901 5.98885 6.09526 6.51749 5.93488 5.6688 5.6044 9.72611 7.11785 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 9.25528 11.9545 9.15386 6.09526 6.51749 7.64267 5.6688 5.6044 10.428 7.11785 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 7.92766 14.0488 7.10633 10.2224 6.85441 8.17229 6.21588 5.86489 11.5776 5.91727 numMergedOcc 0
22 mol 204 unq 1 iso 0 dist 7.92766 7.58285 8.51516 10.2224 6.85441 5.74707 6.21588 5.86489 7.32294 5.91727 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 6.18486 6.78651 7.55216 5.98086 5.87815 10.6244 8.85568 6.67321 13.0798 7.95359 numMergedOcc 0
24 mol 253 unq 0 iso 0 dist 5.76077 9.0081 9.02271 5.37783 7.77998 13.6942 7.06589 5.78064 13.07 8.15091 numMergedOcc 0
25 mol 253 unq 1 iso 0 dist 7.0247 10.9027 9.02271 14.5125 7.77998 13.6942 8.70383 5.78064 13.07 8.15091 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 7.22378 6.8193 6.60405 4.56307 6.70815 7.42673 13.074 10.8558 15.8417 9.91199 numMergedOcc 0
