0 mol 16 unq 0 iso 0 dist 6.36377 4.78943 5.05803 9.05346 6.2983 7.03948 6.55076 8.33883 5.38671 5.77753 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.36377 5.48395 6.31718 9.05346 6.2983 5.47769 6.55076 8.33883 5.45161 5.77753 numMergedOcc 0
2 mol 127 unq 0 iso 0 dist 9.42513 8.60326 9.30299 16.2351 14.085 8.59981 23.2418 22.1143 16.0489 8.20636 numMergedOcc 0
3 mol 127 unq 1 iso 0 dist 9.42513 8.60326 9.30299 16.2351 14.085 8.59981 14.6411 8.40046 9.75166 8.03243 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 9.50322 5.37072 7.11802 11.5756 4.68409 7.92688 16.4395 11.5008 14.4683 8.25207 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 5.82404 5.37072 8.00618 11.5756 12.2037 7.92688 16.4395 18.0344 14.4683 8.25207 numMergedOcc 0
6 mol 214 unq 0 iso 0 dist 9.51764 6.53326 8.85478 11.3587 6.67959 7.46831 15.3761 8.49704 10.644 6.35728 numMergedOcc 0
7 mol 214 unq 1 iso 0 dist 5.36829 12.3481 8.85478 10.5513 6.67959 7.46831 8.72971 8.49704 10.644 6.35728 numMergedOcc 0
8 mol 224 unq 0 iso 0 dist 8.39002 9.98893 8.95269 11.3096 5.29877 6.67585 9.97999 9.33771 5.41021 6.4508 numMergedOcc 0
9 mol 224 unq 1 iso 0 dist 8.39002 5.72088 6.57273 11.3096 5.29877 6.65984 9.97999 9.33771 4.91322 6.4508 numMergedOcc 0
10 mol 224 unq 2 iso 0 dist 8.46129 5.72088 6.60589 11.3096 6.12232 6.65984 9.97999 7.39839 4.91322 6.4508 numMergedOcc 0
11 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 16.431 9.13836 8.17891 20.2112 13.0242 14.9329 8.34104 numMergedOcc 0
12 mol 235 unq 0 iso 0 dist 8.48065 5.23741 5.4638 14.8164 9.66021 9.58736 9.25768 9.94654 5.47633 8.60471 numMergedOcc 0
13 mol 259 unq 0 iso 0 dist 9.12507 5.59901 5.30224 10.5745 4.99891 6.77938 15.3512 10.5558 11.9055 5.70124 numMergedOcc 0
14 mol 264 unq 0 iso 0 dist 8.19504 3.93713 6.24356 11.0809 5.12409 9.0012 9.00704 6.75305 10.0289 9.67417 numMergedOcc 0
15 mol 294 unq 0 iso 0 dist 7.98617 10.2761 8.15665 11.886 6.17102 9.03492 18.7829 14.1357 11.0443 9.20616 numMergedOcc 0
