0 mol 26 unq 0 iso 0 dist 9.15677 9.53735 10.797 16.4682 8.34347 18.8417 15.7188 6.73162 14.2674 7.23546 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.61029 9.34599 10.797 14.3476 8.34347 18.8417 7.95969 6.73162 14.2674 7.23546 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.61029 6.32127 10.9837 14.3476 8.34347 18.1487 7.95969 6.73162 12.2621 7.23546 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 7.51978 5.0478 4.29856 10.6355 9.5589 10.6808 5.59128 5.02241 6.30987 6.91765 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 7.51978 5.0478 4.29856 6.43082 6.83299 6.14538 5.59128 5.02241 6.30987 5.06052 numMergedOcc 0
5 mol 54 unq 2 iso 0 dist 7.51978 5.0478 4.29856 11.7347 8.10861 10.4158 5.59128 5.02241 6.30987 10.1332 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 8.52969 9.42188 9.11373 11.6772 6.81627 15.7503 12.9126 8.26899 16.1794 5.98837 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 8.52969 9.42188 9.11373 9.0406 7.32874 14.564 12.9126 8.26899 16.1794 4.55117 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 8.52969 9.42188 9.11373 4.98107 9.55426 13.6018 12.9126 8.26899 16.1794 10.3782 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 5.09688 8.22984 9.75737 9.65979 6.45675 15.8683 10.6273 8.72704 14.4265 7.2495 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 5.09688 8.22984 9.75737 12.2879 7.47343 16.5404 10.6273 8.72704 14.4265 10.1589 numMergedOcc 0
11 mol 100 unq 2 iso 0 dist 5.09688 8.22984 9.75737 10.2364 8.86688 16.3323 10.6273 8.72704 14.4265 15.9331 numMergedOcc 0
12 mol 100 unq 3 iso 0 dist 9.26343 6.6157 9.75737 13.666 6.45675 15.8683 11.6898 8.72704 14.4265 7.2495 numMergedOcc 0
13 mol 100 unq 4 iso 0 dist 9.26343 6.6157 9.75737 16.4386 7.47343 16.5404 11.6898 8.72704 14.4265 10.1589 numMergedOcc 0
14 mol 100 unq 5 iso 0 dist 9.26343 6.6157 9.75737 15.5646 8.86688 16.3323 11.6898 8.72704 14.4265 15.9331 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 9.69757 8.74658 8.23791 6.82985 7.12972 9.90168 12.4356 8.6243 11.4282 6.19596 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 6.96824 5.6688 6.29863 8.76337 7.63312 11.9764 5.54495 6.93764 9.93639 4.80231 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 9.25528 5.6688 5.6044 18.2027 9.1374 14.2254 14.3955 6.94688 10.3766 6.25083 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 9.25528 5.6688 5.6044 18.2027 9.1374 14.2254 15.6271 6.71012 10.7723 4.77278 numMergedOcc 0
19 mol 181 unq 3 iso 0 dist 9.25528 5.6688 5.6044 11.4901 5.98885 9.72611 14.3955 6.94688 10.3766 5.86342 numMergedOcc 0
20 mol 181 unq 4 iso 0 dist 9.25528 5.6688 5.6044 11.4901 5.98885 9.72611 15.6271 6.71012 10.7723 9.14057 numMergedOcc 0
21 mol 181 unq 5 iso 0 dist 9.25528 5.6688 5.6044 11.9545 9.15386 10.428 14.3955 6.94688 10.3766 6.80228 numMergedOcc 0
22 mol 181 unq 6 iso 0 dist 9.25528 5.6688 5.6044 11.9545 9.15386 10.428 15.6271 6.71012 10.7723 11.6919 numMergedOcc 0
23 mol 182 unq 0 iso 0 dist 7.8621 8.04856 9.81003 6.98787 9.31746 13.7536 13.0784 6.73313 16.5308 11.1088 numMergedOcc 0
24 mol 204 unq 0 iso 0 dist 7.92766 6.21588 5.86489 14.0488 7.10633 11.5776 13.2566 5.90931 11.641 5.09262 numMergedOcc 0
25 mol 204 unq 1 iso 0 dist 7.92766 6.21588 5.86489 7.58285 8.51516 7.32294 13.2566 5.90931 11.641 12.9483 numMergedOcc 0
26 mol 227 unq 0 iso 0 dist 6.18486 5.87056 9.32448 6.78651 7.55216 7.43071 5.31715 8.83563 10.4957 11.662 numMergedOcc 0
27 mol 227 unq 1 iso 0 dist 6.18486 9.84311 6.48027 6.78651 7.55216 5.41321 5.31715 8.83563 13.792 11.662 numMergedOcc 0
28 mol 227 unq 2 iso 0 dist 6.18486 8.85568 6.67321 6.78651 7.55216 13.0798 5.31715 8.83563 9.28891 11.662 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 7.80166 8.03226 14.388 6.77788 5.72887 14.6113 12.4266 9.29858 14.4678 13.069 numMergedOcc 0
30 mol 253 unq 0 iso 0 dist 5.76077 7.06589 5.78064 9.0081 9.02271 13.07 10.6548 7.19465 9.58354 7.92528 numMergedOcc 0
31 mol 253 unq 1 iso 0 dist 7.0247 8.70383 5.78064 10.9027 9.02271 13.07 3.494 7.19465 9.58354 7.92528 numMergedOcc 0
32 mol 282 unq 0 iso 0 dist 7.90792 5.94224 6.6348 8.93697 6.33524 10.6906 6.63358 7.32347 6.8972 6.3384 numMergedOcc 0
