0 mol 7 unq 0 iso 0 dist 8.88982 11.2808 7.15434 13.9585 7.10621 11.2706 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 8.51112 13.0082 9.31271 12.3645 9.04767 10.3326 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.60918 8.99471 8.4361 5.05215 4.86568 5.39064 numMergedOcc 0
3 mol 18 unq 0 iso 0 dist 8.51213 10.2716 6.39243 11.0081 9.51761 15.2831 numMergedOcc 0
4 mol 18 unq 1 iso 0 dist 8.51213 10.2716 6.39243 11.3758 7.3094 9.30561 numMergedOcc 0
5 mol 18 unq 2 iso 0 dist 8.51213 10.3407 9.1715 11.0081 9.51761 17.8306 numMergedOcc 0
6 mol 18 unq 3 iso 0 dist 8.51213 10.3407 9.1715 11.3758 7.3094 14.3582 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 6.80849 6.27332 8.20058 13.9888 8.86116 16.6906 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 6.80849 6.27332 8.20058 10.1696 8.38394 14.9411 numMergedOcc 0
9 mol 41 unq 0 iso 0 dist 9.02927 10.1432 8.52313 14.1634 6.19529 8.25852 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 6.04163 4.33482 6.10011 6.34076 5.93252 8.3449 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 8.88953 9.08957 6.10011 3.92763 5.93252 8.3449 numMergedOcc 0
12 mol 90 unq 0 iso 0 dist 6.31203 5.50714 8.44515 4.53359 5.83409 6.1985 numMergedOcc 0
13 mol 90 unq 1 iso 0 dist 6.31203 6.63665 9.41382 4.53359 5.83409 6.45992 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 8.55238 5.24933 9.72688 7.30086 7.88289 9.68673 numMergedOcc 0
15 mol 95 unq 1 iso 0 dist 8.55238 5.24933 9.72688 10.7376 9.01083 15.0368 numMergedOcc 0
16 mol 95 unq 2 iso 0 dist 9.85406 5.70043 9.72688 10.2242 7.88289 9.68673 numMergedOcc 0
17 mol 95 unq 3 iso 0 dist 9.85406 5.70043 9.72688 16.7843 9.01083 15.0368 numMergedOcc 0
18 mol 95 unq 4 iso 0 dist 5.76199 8.17239 9.72688 5.58096 7.88289 9.68673 numMergedOcc 0
19 mol 95 unq 5 iso 0 dist 5.76199 8.17239 9.72688 11.5715 9.01083 15.0368 numMergedOcc 0
20 mol 98 unq 0 iso 0 dist 4.31067 5.88769 8.05602 9.04817 5.08437 12.0507 numMergedOcc 0
21 mol 98 unq 1 iso 0 dist 4.31067 5.88769 8.05602 4.70157 6.48948 4.72129 numMergedOcc 0
22 mol 98 unq 2 iso 0 dist 4.31067 5.88769 8.05602 6.21302 6.10456 12.0339 numMergedOcc 0
23 mol 113 unq 0 iso 0 dist 8.29529 4.5845 9.08014 7.77295 5.86073 7.41343 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 5.22628 6.64473 8.97043 10.0419 9.33865 11.8721 numMergedOcc 0
25 mol 115 unq 1 iso 0 dist 5.22628 6.64473 8.97043 6.8104 6.11741 5.19652 numMergedOcc 0
26 mol 117 unq 0 iso 0 dist 9.60425 6.63536 8.81172 5.17524 9.84395 5.34484 numMergedOcc 0
27 mol 133 unq 0 iso 0 dist 8.29673 14.7174 9.79004 5.78974 7.24514 10.0277 numMergedOcc 0
28 mol 133 unq 1 iso 0 dist 8.29673 14.7174 9.79004 9.35671 8.22656 7.33132 numMergedOcc 0
29 mol 205 unq 0 iso 0 dist 6.04106 5.60686 6.15806 12.9245 7.26832 10.6362 numMergedOcc 0
30 mol 239 unq 0 iso 0 dist 6.92721 5.32735 6.83046 9.00069 6.16342 4.77446 numMergedOcc 0
31 mol 258 unq 0 iso 0 dist 5.31858 5.06393 8.21585 6.60345 6.42289 5.13233 numMergedOcc 0
32 mol 261 unq 0 iso 0 dist 9.45818 5.42605 6.82526 10.6944 9.14619 10.9571 numMergedOcc 0
33 mol 261 unq 1 iso 0 dist 9.45818 5.42605 6.82526 13.2478 8.45658 10.3274 numMergedOcc 0
34 mol 261 unq 2 iso 0 dist 6.68878 4.94144 9.05762 4.31412 6.05727 5.79827 numMergedOcc 0
