0 mol 39 unq 0 iso 0 dist 7.95922 6.01377 8.86053 4.66216 5.00126 8.20173 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 7.95922 11.0291 8.76925 4.66216 5.00126 8.11238 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 4.22514 4.11549 6.29755 5.77448 6.54183 5.58127 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 4.22514 8.12687 7.4038 5.77448 6.54183 5.54544 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 9.0081 7.96488 7.77128 13.1593 9.70415 16.1373 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 8.87984 16.6598 7.88143 14.0158 5.85841 4.04716 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 8.87984 16.6598 7.88143 6.35984 7.00285 13.0429 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 8.87984 12.958 6.62952 14.0158 5.85841 4.75433 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 8.87984 12.958 6.62952 6.35984 7.00285 11.5098 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 9.0584 12.958 4.3521 14.0158 6.78839 4.75433 numMergedOcc 0
10 mol 98 unq 5 iso 0 dist 9.0584 12.958 4.3521 6.35984 8.02354 11.5098 numMergedOcc 0
11 mol 98 unq 6 iso 0 dist 8.48071 5.92777 7.14505 10.2089 9.00692 6.07909 numMergedOcc 0
12 mol 98 unq 7 iso 0 dist 8.48071 5.92777 7.14505 13.206 7.62058 9.02353 numMergedOcc 0
13 mol 98 unq 8 iso 0 dist 6.48198 5.92777 4.7588 10.2089 6.26542 6.07909 numMergedOcc 0
14 mol 98 unq 9 iso 0 dist 6.48198 5.92777 4.7588 13.206 7.02765 9.02353 numMergedOcc 0
15 mol 126 unq 0 iso 0 dist 9.61698 10.9773 9.63161 11.7982 6.24392 4.7848 numMergedOcc 0
16 mol 140 unq 0 iso 0 dist 8.6371 4.46614 6.55217 8.25136 7.83582 9.7827 numMergedOcc 0
17 mol 140 unq 1 iso 0 dist 8.6371 4.46614 6.55217 11.6664 9.89896 7.94378 numMergedOcc 0
18 mol 140 unq 2 iso 0 dist 8.6371 4.46614 6.55217 13.7568 9.68229 12.2163 numMergedOcc 0
19 mol 140 unq 3 iso 0 dist 8.6371 4.74205 7.21686 8.25136 7.83582 5.80354 numMergedOcc 0
20 mol 140 unq 4 iso 0 dist 8.6371 4.74205 7.21686 11.6664 9.89896 9.09814 numMergedOcc 0
21 mol 140 unq 5 iso 0 dist 8.6371 4.74205 7.21686 13.7568 9.68229 9.18193 numMergedOcc 0
22 mol 154 unq 0 iso 0 dist 9.17333 11.7447 4.62366 8.81984 8.34737 8.32419 numMergedOcc 0
23 mol 154 unq 1 iso 0 dist 9.17333 11.7447 4.62366 9.49184 8.5163 6.47339 numMergedOcc 0
24 mol 172 unq 0 iso 0 dist 9.40213 11.0444 5.28889 4.40294 9.54849 10.0276 numMergedOcc 0
25 mol 172 unq 1 iso 0 dist 9.40213 11.0444 5.28889 8.54738 5.5139 5.79462 numMergedOcc 0
26 mol 172 unq 2 iso 0 dist 9.40213 9.70426 4.90175 4.40294 9.54849 10.6482 numMergedOcc 0
27 mol 172 unq 3 iso 0 dist 9.40213 9.70426 4.90175 8.54738 5.5139 8.10512 numMergedOcc 0
28 mol 172 unq 4 iso 0 dist 8.75042 7.0455 5.28889 10.0794 9.54849 10.0276 numMergedOcc 0
29 mol 172 unq 5 iso 0 dist 8.75042 7.0455 5.28889 10.0217 5.5139 5.79462 numMergedOcc 0
30 mol 172 unq 6 iso 0 dist 8.75042 12.33 4.90175 10.0794 9.54849 10.6482 numMergedOcc 0
31 mol 172 unq 7 iso 0 dist 8.75042 12.33 4.90175 10.0217 5.5139 8.10512 numMergedOcc 0
32 mol 174 unq 0 iso 0 dist 8.01462 9.45299 9.56869 6.67451 6.04817 4.69892 numMergedOcc 0
33 mol 174 unq 1 iso 0 dist 8.01462 5.34155 7.37131 6.67451 6.04817 4.99043 numMergedOcc 0
34 mol 203 unq 0 iso 0 dist 9.5818 4.90371 7.72498 9.25769 9.36402 5.01258 numMergedOcc 0
35 mol 238 unq 0 iso 0 dist 9.72321 10.5655 9.01742 15.1506 9.38753 5.81768 numMergedOcc 0
36 mol 241 unq 0 iso 0 dist 4.66398 10.4606 8.00841 7.9304 8.98668 12.7003 numMergedOcc 0
37 mol 241 unq 1 iso 0 dist 9.05448 5.2107 8.00841 16.3246 8.98668 12.7003 numMergedOcc 0
38 mol 249 unq 0 iso 0 dist 6.23348 6.0731 5.70674 5.0425 7.72708 9.37444 numMergedOcc 0
39 mol 258 unq 0 iso 0 dist 7.96325 14.2761 9.53832 5.29393 8.40766 11.3925 numMergedOcc 0
40 mol 280 unq 0 iso 0 dist 7.11605 7.87626 6.38295 14.3313 8.80588 8.26589 numMergedOcc 0
