0 mol 34 unq 0 iso 0 dist 5.68877 7.10899 4.30086 13.0514 11.0775 6.87871 10.8741 12.4634 9.24927 8.95909 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 7.88321 5.73067 6.31521 5.47531 12.3704 9.23576 5.79134 12.2513 7.50293 7.35595 numMergedOcc 0
2 mol 38 unq 1 iso 0 dist 7.88321 5.73067 6.31521 5.47531 12.3704 9.23576 5.48241 11.6716 9.91611 8.59794 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 8.34361 5.97635 5.65405 6.31564 10.4186 6.59893 10.7219 14.4402 9.5589 11.9881 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 8.34361 5.97635 5.65405 6.31564 10.4186 6.59893 6.76462 10.5929 6.83299 10.3564 numMergedOcc 0
5 mol 54 unq 2 iso 0 dist 8.34361 5.97635 5.65405 6.31564 10.4186 6.59893 13.2619 6.54183 8.10861 12.4254 numMergedOcc 0
6 mol 54 unq 3 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
7 mol 54 unq 4 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
8 mol 54 unq 5 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
9 mol 112 unq 0 iso 0 dist 9.28645 7.15985 9.99381 8.86411 12.1635 6.85381 6.68714 15.24 9.60462 12.5148 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 9.28645 7.15985 9.99381 8.86411 12.1635 6.85381 6.71889 14.459 7.45389 6.38057 numMergedOcc 0
11 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
12 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
13 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
14 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
15 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
16 mol 238 unq 0 iso 0 dist 9.18345 6.24928 5.33697 9.87348 14.9437 9.75174 5.33567 6.06422 6.57393 13.477 numMergedOcc 0
17 mol 253 unq 0 iso 0 dist 8.11437 7.15815 7.07333 11.0688 14.2163 7.7993 4.93871 10.7144 9.02271 13.0587 numMergedOcc 0
18 mol 253 unq 1 iso 0 dist 8.11437 7.15815 7.07333 5.23198 10.795 6.10761 4.93871 10.7144 9.02271 4.70422 numMergedOcc 0
19 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
20 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
21 mol 259 unq 0 iso 0 dist 5.16838 5.90645 5.20592 6.13878 9.16548 6.77279 4.62072 5.75874 8.53687 7.55268 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 5.16838 5.90645 5.20592 6.13878 9.16548 6.77279 10.4985 10.9903 8.13497 5.71237 numMergedOcc 0
