0 mol 19 unq 0 iso 0 dist 4.54938 8.23643 6.55187 6.92532 5.18512 6.87842 5.03957 7.82074 8.73972 6.36455 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 4.54938 7.82528 5.14627 6.92532 5.18512 6.34272 7.67038 8.4674 6.20943 10.1882 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 7.82074 8.73972 6.55187 6.36455 5.18512 6.87842 5.03957 4.54938 8.23643 6.92532 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 6.864 7.82528 4.69858 6.92532 9.47529 6.34272 7.67038 4.51865 6.20943 10.1882 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 6.43774 7.06308 4.71384 6.06454 5.73693 5.94047 5.24762 7.2846 6.34173 9.44459 numMergedOcc 0
5 mol 45 unq 1 iso 0 dist 7.2846 6.34173 4.71384 9.44459 5.73693 5.94047 5.24762 6.43774 7.06308 6.06454 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 6.64012 6.46761 5.24906 7.27383 6.37648 9.17656 6.47414 9.4099 9.73139 12.5444 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 6.64012 7.58407 5.11205 7.27383 6.37648 10.8775 6.47414 9.4099 6.31428 12.5444 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 9.96396 8.70133 7.41074 7.04044 8.26458 11.2505 5.4148 6.19304 4.65521 8.73253 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 6.19304 4.65521 7.41074 8.73253 8.26458 11.2505 5.4148 9.96396 8.70133 7.04044 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 7.97049 9.47876 7.98917 7.1589 6.37974 12.5072 6.9948 7.47541 7.22293 11.2808 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 6.19965 9.47876 11.6116 7.1589 5.08358 12.5072 6.9948 7.66905 7.22293 11.2808 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 5.83991 8.66155 6.09023 5.72642 6.4497 5.87507 7.69052 9.33865 9.66954 10.9734 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 7.88312 8.66155 4.61908 5.72642 7.3094 5.87507 7.69052 6.11741 9.66954 10.9734 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 7.12972 8.6243 6.19596 8.71039 5.89022 8.15392 6.63273 6.85062 6.91348 11.6142 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 7.12972 8.6243 6.19596 6.92648 9.32969 6.01893 6.63273 6.85062 6.91348 9.29384 numMergedOcc 0
16 mol 131 unq 2 iso 0 dist 6.85062 6.91348 6.19596 9.29384 9.32969 6.01893 6.63273 7.12972 8.6243 6.92648 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 8.94367 8.79571 5.41704 8.20836 9.4027 9.65798 5.49782 6.37586 5.42582 10.873 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 8.94367 8.79571 5.41704 8.20836 9.4027 9.65798 8.80819 6.49416 8.6355 13.846 numMergedOcc 0
19 mol 134 unq 2 iso 0 dist 6.49416 8.6355 5.41704 5.53031 8.46636 11.9544 8.80819 8.94367 8.79571 13.9396 numMergedOcc 0
20 mol 134 unq 3 iso 0 dist 6.49416 8.6355 5.41704 5.53031 8.46636 11.9544 5.00817 6.37586 5.42582 10.1537 numMergedOcc 0
21 mol 134 unq 4 iso 0 dist 9.86662 8.79571 6.17103 8.20836 5.12325 9.65798 5.49782 9.71307 5.42582 10.873 numMergedOcc 0
22 mol 142 unq 0 iso 0 dist 9.2313 7.15475 9.49653 9.17106 12.6057 5.14959 5.32922 5.31024 9.07935 12.432 numMergedOcc 0
23 mol 142 unq 1 iso 0 dist 7.73169 7.15475 7.53854 9.17106 8.38032 5.14959 5.32922 7.26382 9.07935 12.432 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 8.38865 11.0628 5.92529 5.22356 8.65997 6.95902 5.4694 numMergedOcc 0
25 mol 227 unq 1 iso 0 dist 8.65997 6.95902 6.43754 5.4694 11.0628 5.92529 5.22356 7.22101 8.17891 8.38865 numMergedOcc 0
26 mol 234 unq 0 iso 0 dist 6.56247 6.25105 11.216 8.24186 5.63086 13.0974 5.88703 9.45496 7.85175 7.5366 numMergedOcc 0
27 mol 234 unq 1 iso 0 dist 9.36357 6.25105 11.4315 8.24186 5.6819 13.0974 5.88703 6.7625 7.85175 7.5366 numMergedOcc 0
28 mol 234 unq 2 iso 0 dist 9.45496 7.85175 11.216 7.5366 5.63086 13.0974 5.88703 6.56247 6.25105 8.24186 numMergedOcc 0
29 mol 234 unq 3 iso 0 dist 6.7625 7.85175 11.4315 7.5366 5.6819 13.0974 5.88703 9.36357 6.25105 8.24186 numMergedOcc 0
30 mol 236 unq 0 iso 0 dist 9.81562 5.34718 11.8759 8.50331 7.22918 11.6774 7.28249 8.03456 7.17676 11.9847 numMergedOcc 0
31 mol 236 unq 1 iso 0 dist 7.68742 5.34718 11.3552 8.50331 9.05842 11.6774 7.28249 6.84306 7.17676 11.9847 numMergedOcc 0
32 mol 236 unq 2 iso 0 dist 6.27581 5.34718 6.04825 8.50331 7.00028 11.6774 7.28249 9.99038 7.17676 11.9847 numMergedOcc 0
33 mol 272 unq 0 iso 0 dist 8.46116 9.09992 5.63139 9.19033 13.5034 11.8912 5.40809 8.33638 6.73206 11.9971 numMergedOcc 0
