0 mol 54 unq 0 iso 0 dist 8.34361 5.97635 5.65405 4.94741 6.10175 5.59773 10.7219 14.4402 9.5589 13.9079 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 8.34361 5.97635 5.65405 4.94741 6.10175 5.59773 6.76462 10.5929 6.83299 10.4238 numMergedOcc 0
2 mol 54 unq 2 iso 0 dist 8.34361 5.97635 5.65405 4.94741 6.10175 5.59773 13.2619 6.54183 8.10861 10.1356 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 7.68053 7.75811 6.1985 7.84652 8.39015 12.6828 4.8042 8.44515 5.83409 10.4263 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 9.28645 7.15985 9.99381 9.10324 9.37708 14.7635 6.68714 15.24 9.60462 14.9494 numMergedOcc 0
5 mol 112 unq 1 iso 0 dist 9.28645 7.15985 9.99381 9.10324 9.37708 14.7635 6.71889 14.459 7.45389 14.4136 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 7.46875 7.81337 5.29825 6.68239 5.50364 8.97145 11.4498 12.0117 6.85062 14.257 numMergedOcc 0
7 mol 131 unq 1 iso 0 dist 7.46875 7.81337 5.29825 7.74794 8.7301 6.5874 11.4498 12.0117 6.85062 7.60371 numMergedOcc 0
8 mol 214 unq 0 iso 0 dist 7.71569 5.36829 5.68711 8.72971 5.69733 8.49704 11.7583 13.6328 9.65138 12.4611 numMergedOcc 0
9 mol 214 unq 1 iso 0 dist 7.71569 5.36829 5.68711 8.72971 5.69733 8.49704 4.98764 11.6154 7.14453 11.832 numMergedOcc 0
10 mol 214 unq 2 iso 0 dist 7.71569 5.36829 5.68711 8.72971 5.69733 8.49704 12.3481 11.5105 8.85478 10.644 numMergedOcc 0
11 mol 229 unq 0 iso 0 dist 9.33775 8.6537 10.8091 8.62656 8.86628 14.0942 8.65216 12.1289 8.22528 9.75601 numMergedOcc 0
12 mol 229 unq 1 iso 0 dist 9.33775 8.6537 10.8091 8.62656 8.86628 14.0942 10.7439 15.5492 7.03423 14.886 numMergedOcc 0
13 mol 229 unq 2 iso 0 dist 9.33775 5.57702 10.9466 8.62656 8.86628 13.7338 6.21233 14.9098 9.87838 10.9222 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 8.21479 9.29752 6.1648 8.47021 4.46314 9.36645 9.60401 12.5644 8.27212 13.6402 numMergedOcc 0
15 mol 235 unq 0 iso 0 dist 8.52954 7.08539 12.2063 8.47815 7.52696 15.0241 7.38431 15.1022 5.4638 15.2373 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 6.41167 5.73834 5.13233 3.95075 6.59521 8.58088 6.48867 10.7821 6.60405 10.221 numMergedOcc 0
17 mol 258 unq 1 iso 0 dist 6.41167 5.73834 5.13233 3.95075 6.59521 8.58088 7.52881 8.21585 6.42289 9.22664 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 5.16838 5.90645 5.20592 5.45575 7.4294 10.3594 4.62072 5.75874 8.53687 6.9607 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 5.16838 5.90645 5.20592 5.45575 7.4294 10.3594 10.4985 10.9903 8.13497 15.8193 numMergedOcc 0
20 mol 259 unq 2 iso 0 dist 5.16838 5.90645 5.20592 10.6997 8.37253 12.6542 4.62072 5.75874 8.53687 6.68041 numMergedOcc 0
21 mol 259 unq 3 iso 0 dist 5.16838 5.90645 5.20592 10.6997 8.37253 12.6542 10.4985 10.9903 8.13497 14.0237 numMergedOcc 0
22 mol 259 unq 4 iso 0 dist 9.03983 6.42725 7.27401 4.77489 9.2772 10.0766 8.70769 11.8092 5.30224 13.3027 numMergedOcc 0
