0 mol 16 unq 0 iso 0 dist 8.56826 4.77443 7.72142 8.69541 5.40044 8.47315 4.04353 6.28033 5.59769 4.7319 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 6.73832 11.6727 7.02351 20.0533 13.6586 9.68526 16.3702 11.0108 8.31041 9.38498 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 6.73832 11.6727 7.02351 11.6749 10.3774 7.26679 16.3702 11.0108 8.31041 9.96396 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 6.73832 11.6727 7.02351 11.6749 10.3774 7.26679 15.1825 10.9082 5.44275 6.19304 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 6.73832 11.6727 7.02351 11.6749 10.3774 7.26679 4.30874 8.16299 11.2674 8.70481 numMergedOcc 0
5 mol 73 unq 4 iso 0 dist 6.73832 11.6727 7.02351 9.34779 4.15333 9.30776 16.3702 11.0108 8.31041 9.75218 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.46036 7.30364 4.85152 10.2803 11.1785 9.514 15.6107 11.1915 11.8037 7.4729 numMergedOcc 0
7 mol 102 unq 0 iso 0 dist 4.84683 6.43211 9.61113 13.5476 13.9809 9.01767 9.9427 12.1389 6.42572 7.36792 numMergedOcc 0
8 mol 102 unq 1 iso 0 dist 4.84683 6.93587 7.59973 13.5476 13.9809 9.80678 9.9427 12.1389 5.54551 7.36792 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 8.41815 16.6797 8.592 13.9868 9.52181 8.42445 18.1998 11.8382 7.18757 7.5732 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 7.77423 14.7064 8.26291 17.5478 10.9365 7.83619 16.462 13.2314 10.0837 9.28393 numMergedOcc 0
11 mol 214 unq 0 iso 0 dist 9.40687 10.6403 5.69733 9.40003 5.68711 8.49704 16.5528 13.6328 12.4611 9.65138 numMergedOcc 0
12 mol 214 unq 1 iso 0 dist 9.40687 10.6403 5.69733 9.40003 5.68711 8.49704 9.11345 11.6154 11.832 7.14453 numMergedOcc 0
13 mol 214 unq 2 iso 0 dist 9.40687 10.6403 5.69733 9.40003 5.68711 8.49704 16.922 11.5105 10.644 8.85478 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 6.19798 4.56782 7.10689 7.27481 5.01062 8.7347 5.68063 8.7419 8.81265 6.00706 numMergedOcc 0
15 mol 222 unq 1 iso 0 dist 6.19798 4.56782 7.10689 7.27481 5.01062 8.7347 5.90074 8.5834 4.28891 7.54212 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 8.27538 6.4556 4.99301 4.79841 5.25583 6.56437 11.4653 13.0296 14.2632 8.95269 numMergedOcc 0
17 mol 224 unq 1 iso 0 dist 8.27538 5.66462 6.36813 4.79841 5.25583 6.23882 11.4653 13.0296 15.0038 8.95269 numMergedOcc 0
18 mol 276 unq 0 iso 0 dist 7.07283 4.48428 7.35537 5.30976 9.58401 9.05218 7.38126 12.5562 5.72513 9.8993 numMergedOcc 0
19 mol 276 unq 1 iso 0 dist 7.07283 4.48428 7.35537 5.30976 9.58401 9.05218 6.39319 13.4249 8.86096 6.87396 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 8.06324 5.72978 8.66917 5.17586 5.31331 8.13489 5.9229 12.6214 5.51096 9.70696 numMergedOcc 0
