0 mol 1 unq 0 iso 0 dist 7.59404 9.60615 5.21705 5.1888 8.61411 7.68226 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 8.91798 7.41235 4.03579 5.33296 8.69158 8.57157 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 8.67055 9.40953 8.72739 12.1866 11.5897 8.57157 numMergedOcc 0
3 mol 27 unq 2 iso 0 dist 8.54422 7.41235 5.02694 5.33296 10.7968 8.57157 numMergedOcc 0
4 mol 27 unq 3 iso 0 dist 6.25236 9.40953 5.02694 12.1866 10.7968 8.57157 numMergedOcc 0
5 mol 46 unq 0 iso 0 dist 8.99557 9.72136 8.55766 9.89704 8.55031 8.16183 numMergedOcc 0
6 mol 71 unq 0 iso 0 dist 8.58853 5.21993 8.22454 5.14057 13.1378 8.23389 numMergedOcc 0
7 mol 78 unq 0 iso 0 dist 6.75455 8.06358 13.5499 8.98055 15.2362 5.85873 numMergedOcc 0
8 mol 78 unq 1 iso 0 dist 6.28063 8.06358 11.2152 8.98055 13.1058 5.85873 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 9.79055 8.3435 7.18067 5.73112 6.78043 8.67475 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 9.28919 8.3435 5.74315 5.73112 5.74364 8.67475 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 9.9065 6.93938 3.82552 12.5809 11.3926 9.58666 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 6.52227 7.20083 3.97541 5.49686 6.95914 4.33805 numMergedOcc 0
13 mol 148 unq 0 iso 0 dist 8.6499 9.8506 13.5761 17.0927 18.7045 9.93912 numMergedOcc 0
14 mol 148 unq 1 iso 0 dist 8.6499 9.8506 13.5761 7.50382 9.22427 8.3656 numMergedOcc 0
15 mol 150 unq 0 iso 0 dist 8.75339 9.91991 13.6344 7.48524 9.32504 8.44633 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 6.99667 8.9694 11.5597 9.59563 14.9509 5.79617 numMergedOcc 0
17 mol 217 unq 0 iso 0 dist 6.00351 5.01648 3.59923 5.24737 9.76082 8.46235 numMergedOcc 0
18 mol 217 unq 1 iso 0 dist 6.00351 5.01648 3.59923 5.51329 5.89788 5.27487 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 8.99476 7.18462 9.55943 5.28998 8.92332 6.13272 numMergedOcc 0
20 mol 292 unq 1 iso 0 dist 8.99476 6.66342 6.65781 5.28998 8.92332 7.02679 numMergedOcc 0
