0 mol 26 unq 0 iso 0 dist 6.32127 9.77186 9.5053 9.61029 10.9837 8.44506 14.3476 18.1487 13.2876 8.34347 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 6.72703 5.92019 6.99108 11.8625 10.0962 6.77886 8.20914 11.8747 6.03623 8.66265 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 7.43804 12.4403 8.43352 10.671 7.06961 7.26086 13.2064 6.7117 7.32662 5.08437 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 7.43804 12.4403 8.43352 10.671 7.06961 7.26086 10.7799 9.42961 13.4985 6.48948 numMergedOcc 0
4 mol 98 unq 2 iso 0 dist 7.43804 12.4403 8.43352 10.671 7.06961 7.26086 5.65902 4.47349 6.934 6.10456 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 8.22984 6.16378 9.5669 5.09688 9.75737 7.12017 9.65979 15.8683 9.52882 6.45675 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 8.22984 6.16378 9.5669 5.09688 9.75737 7.12017 12.2879 16.5404 12.6602 7.47343 numMergedOcc 0
7 mol 100 unq 2 iso 0 dist 8.22984 6.16378 9.5669 5.09688 9.75737 7.12017 10.2364 16.3323 14.8674 8.86688 numMergedOcc 0
8 mol 100 unq 3 iso 0 dist 6.6157 5.69359 9.5669 9.26343 9.75737 7.12017 13.666 15.8683 9.52882 6.45675 numMergedOcc 0
9 mol 100 unq 4 iso 0 dist 6.6157 5.69359 9.5669 9.26343 9.75737 7.12017 16.4386 16.5404 12.6602 7.47343 numMergedOcc 0
10 mol 100 unq 5 iso 0 dist 6.6157 5.69359 9.5669 9.26343 9.75737 7.12017 15.5646 16.3323 14.8674 8.86688 numMergedOcc 0
11 mol 100 unq 6 iso 0 dist 7.37771 10.1726 9.5669 13.8622 9.75737 7.12017 18.6628 15.8683 9.52882 6.45675 numMergedOcc 0
12 mol 100 unq 7 iso 0 dist 7.37771 10.1726 9.5669 13.8622 9.75737 7.12017 21.1346 16.5404 12.6602 7.47343 numMergedOcc 0
13 mol 100 unq 8 iso 0 dist 7.37771 10.1726 9.5669 13.8622 9.75737 7.12017 19.7824 16.3323 14.8674 8.86688 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 6.73172 12.468 9.77017 7.65229 5.39346 8.729 5.43987 10.1861 11.0629 9.60462 numMergedOcc 0
15 mol 112 unq 1 iso 0 dist 6.73172 12.468 9.77017 7.65229 5.39346 8.729 9.7695 10.15 5.48848 7.45389 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 9.10479 8.3604 7.91683 15.2767 9.89358 7.77116 8.43108 9.23858 3.78311 8.73993 numMergedOcc 0
17 mol 120 unq 0 iso 0 dist 8.41086 6.69527 6.03352 13.618 8.2619 8.93905 11.804 11.9051 7.27181 8.75408 numMergedOcc 0
18 mol 120 unq 1 iso 0 dist 8.41086 6.69527 6.03352 13.618 8.2619 8.93905 15.4432 13.082 10.5192 6.44653 numMergedOcc 0
19 mol 120 unq 2 iso 0 dist 7.41599 6.25626 6.03352 12.388 8.2619 8.93905 12.4475 11.9051 7.27181 8.75408 numMergedOcc 0
20 mol 120 unq 3 iso 0 dist 7.41599 6.25626 6.03352 12.388 8.2619 8.93905 15.0341 13.082 10.5192 6.44653 numMergedOcc 0
21 mol 131 unq 0 iso 0 dist 8.74658 6.53994 5.56627 6.38977 7.7567 8.86329 6.82985 9.90168 5.89022 8.40312 numMergedOcc 0
22 mol 131 unq 1 iso 0 dist 8.74658 6.53994 5.56627 9.69757 8.23791 8.71039 6.82985 9.90168 5.89022 7.12972 numMergedOcc 0
23 mol 131 unq 2 iso 0 dist 8.74658 13.4383 8.50562 9.69757 8.23791 6.92648 6.82985 9.90168 9.32969 7.12972 numMergedOcc 0
24 mol 131 unq 3 iso 0 dist 8.74658 13.4383 8.50562 12.5659 13.7237 9.29384 6.82985 9.90168 9.32969 6.85062 numMergedOcc 0
25 mol 156 unq 0 iso 0 dist 6.97467 7.94812 7.46845 9.36561 5.81563 5.38091 17.3876 13.0658 10.7023 8.34702 numMergedOcc 0
26 mol 156 unq 1 iso 0 dist 6.97467 7.94812 7.46845 9.36561 5.81563 5.38091 15.9546 11.5017 9.00862 9.06726 numMergedOcc 0
27 mol 156 unq 2 iso 0 dist 6.97467 7.94812 7.46845 9.36561 5.81563 5.38091 16.1793 10.0063 11.1271 8.33171 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 5.6688 6.09526 7.11785 9.25528 5.6044 6.51749 18.2027 14.2254 13.8722 9.1374 numMergedOcc 0
29 mol 181 unq 1 iso 0 dist 5.6688 6.09526 7.11785 9.25528 5.6044 6.51749 11.4901 9.72611 5.93488 5.98885 numMergedOcc 0
30 mol 181 unq 2 iso 0 dist 5.6688 6.09526 7.11785 9.25528 5.6044 6.51749 11.9545 10.428 7.64267 9.15386 numMergedOcc 0
31 mol 181 unq 3 iso 0 dist 5.6688 6.09526 7.11785 11.3822 12.9468 7.20392 11.4901 9.72611 5.93488 9.09537 numMergedOcc 0
32 mol 204 unq 0 iso 0 dist 6.21588 10.2224 5.91727 7.92766 5.86489 6.85441 14.0488 11.5776 8.17229 7.10633 numMergedOcc 0
33 mol 204 unq 1 iso 0 dist 6.21588 10.2224 5.91727 7.92766 5.86489 6.85441 7.58285 7.32294 5.74707 8.51516 numMergedOcc 0
34 mol 205 unq 0 iso 0 dist 9.47112 15.0925 9.17946 21.2951 13.0658 8.44861 17.8235 9.53629 5.28092 6.03031 numMergedOcc 0
35 mol 205 unq 1 iso 0 dist 9.47112 15.0925 9.17946 20.4933 14.4523 5.60393 17.8235 9.53629 5.28092 7.26832 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 8.37652 7.45292 8.88664 10.8642 12.1951 7.862 5.15194 9.8062 6.42798 6.00706 numMergedOcc 0
37 mol 227 unq 0 iso 0 dist 8.85568 5.98086 7.95359 6.18486 6.67321 5.87815 6.78651 13.0798 10.6244 7.55216 numMergedOcc 0
38 mol 253 unq 0 iso 0 dist 7.06589 5.37783 8.15091 5.76077 5.78064 7.77998 9.0081 13.07 13.6942 9.02271 numMergedOcc 0
39 mol 253 unq 1 iso 0 dist 8.70383 14.5125 8.15091 7.0247 5.78064 7.77998 10.9027 13.07 13.6942 9.02271 numMergedOcc 0
