0 mol 11 unq 0 iso 0 dist 5.95165 6.50001 4.10106 3.77561 4.61088 6.54358 9.76946 4.73237 6.74026 6.89666 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.40051 5.77745 5.63212 14.4191 7.17969 10.3338 13.0464 5.59268 10.1908 8.88413 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.88413 8.27137 11.4148 5.59268 7.17969 4.79873 13.0464 14.4191 6.29702 8.40051 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 9.7522 9.90986 7.11305 15.0931 8.34347 14.8317 12.5689 5.3315 12.2008 6.88695 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 6.88695 9.63803 8.25132 5.3315 8.34347 13.6027 12.5689 15.0931 17.1346 9.7522 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 6.65344 8.35477 3.98306 5.29688 6.85766 10.4167 4.67917 5.34079 5.38738 8.05508 numMergedOcc 0
6 mol 71 unq 0 iso 0 dist 9.50139 9.47964 11.9362 6.53623 7.38797 14.291 11.8422 9.64576 18.2213 8.85372 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 5.02717 6.31773 5.03039 5.28901 7.30858 6.04595 10.8042 8.25001 4.57067 9.35868 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 5.02717 6.31773 5.03039 11.0268 7.88312 11.8378 14.7907 10.9437 13.6414 4.98864 numMergedOcc 0
9 mol 115 unq 2 iso 0 dist 5.02717 6.31773 5.03039 11.0268 7.88312 11.8378 16.7534 12.0354 14.8066 7.95871 numMergedOcc 0
10 mol 115 unq 3 iso 0 dist 7.95871 9.79864 9.62029 12.0354 7.88312 14.3246 16.7534 11.0268 17.7541 5.02717 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 6.31125 9.10434 3.98662 5.59449 6.85062 10.7579 12.2899 11.4498 15.0806 7.81337 numMergedOcc 0
12 mol 222 unq 0 iso 0 dist 7.85877 8.86886 8.34852 4.82768 7.21333 12.0171 10.9808 16.4881 18.855 9.55777 numMergedOcc 0
13 mol 236 unq 0 iso 0 dist 6.11137 9.94117 10.5937 15.1664 9.99038 19.0739 18.1269 13.8124 18.4048 8.90987 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 9.12507 4.95855 7.09907 5.59901 5.30224 6.9899 5.30455 8.70769 6.09466 6.42725 numMergedOcc 0
15 mol 259 unq 1 iso 0 dist 9.12507 7.72489 9.71793 5.59901 5.30224 10.4017 5.30455 8.70769 7.9016 6.42725 numMergedOcc 0
16 mol 292 unq 0 iso 0 dist 9.30668 5.72473 7.8414 8.04474 8.2734 7.20674 12.7106 5.26243 8.88312 9.20416 numMergedOcc 0
17 mol 292 unq 1 iso 0 dist 9.30668 5.72473 7.8414 8.04474 8.2734 7.20674 8.35169 5.58251 10.0594 7.53641 numMergedOcc 0
