0 mol 43 unq 0 iso 0 dist 8.84944 6.65308 6.77798 4.64937 5.51659 6.95457 9.79678 4.22382 5.22412 8.25984 numMergedOcc 0
1 mol 127 unq 0 iso 0 dist 5.83719 7.34368 4.49551 9.81852 9.62885 7.33646 10.5293 5.61104 5.82731 8.48435 numMergedOcc 0
2 mol 132 unq 0 iso 0 dist 6.94745 9.77766 12.0828 5.6296 10.1299 7.17412 7.73306 8.91031 4.6147 8.15549 numMergedOcc 0
3 mol 132 unq 1 iso 0 dist 6.94745 9.11314 10.2787 5.6296 10.1299 5.69956 7.73306 8.91031 6.20797 8.15549 numMergedOcc 0
4 mol 152 unq 0 iso 0 dist 9.65031 6.83034 6.41178 5.05633 6.89622 7.88147 10.149 4.57152 5.29858 9.57285 numMergedOcc 0
5 mol 165 unq 0 iso 0 dist 6.85551 4.46402 8.22717 9.78341 14.9361 6.78432 7.74717 14.2908 8.46989 8.2197 numMergedOcc 0
6 mol 175 unq 0 iso 0 dist 7.30813 9.11753 4.71126 4.81365 5.25888 9.25721 9.30469 4.40729 7.64428 6.03184 numMergedOcc 0
7 mol 182 unq 0 iso 0 dist 8.27913 9.96156 6.2072 4.39505 8.63031 9.72584 8.22267 9.4786 5.38392 8.94671 numMergedOcc 0
8 mol 182 unq 1 iso 0 dist 6.38335 9.80892 6.2072 13.728 8.63031 9.72584 12.1334 9.4786 5.38392 8.94671 numMergedOcc 0
9 mol 206 unq 0 iso 0 dist 9.42047 5.99766 9.82099 7.54538 12.4229 5.71819 8.21649 9.10202 4.91317 4.51269 numMergedOcc 0
10 mol 206 unq 1 iso 0 dist 9.42047 5.99766 9.82099 4.85877 8.75124 8.48679 8.21649 9.10202 4.91317 7.65323 numMergedOcc 0
11 mol 206 unq 2 iso 0 dist 9.42047 5.99766 9.82099 8.77652 13.7429 7.44186 14.466 15.9557 9.30262 8.63033 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 6.39087 9.55264 12.8065 11.8854 12.8507 5.05353 6.45234 5.9596 8.34455 9.17355 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 6.39087 9.55264 12.8065 11.8854 12.8507 5.05353 12.428 14.6159 6.08894 8.5434 numMergedOcc 0
14 mol 281 unq 0 iso 0 dist 7.65321 5.46236 8.82508 11.1081 15.9251 9.55134 12.2621 13.7259 8.71561 6.7897 numMergedOcc 0
