0 mol 51 unq 0 iso 0 dist 9.97973 12.9053 6.94742 12.0777 7.40639 7.61933 numMergedOcc 0
1 mol 51 unq 1 iso 0 dist 9.42071 4.14139 6.94742 10.2429 7.40639 7.61933 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 9.16658 13.3077 8.34374 5.74753 7.4515 8.42847 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.91206 6.93186 9.23537 13.1036 7.69861 11.3631 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.67513 7.21044 9.23537 7.16384 7.69861 11.3631 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 6.07578 10.2713 7.52634 5.21981 8.04168 13.4881 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 6.07578 10.2713 7.52634 8.12985 5.70907 4.9582 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 5.22996 5.88809 8.95491 7.25403 7.0561 12.6233 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 7.15197 13.8237 8.03546 11.0726 8.48088 5.91501 numMergedOcc 0
9 mol 95 unq 1 iso 0 dist 7.15197 13.8237 8.03546 11.4151 7.27506 6.67286 numMergedOcc 0
10 mol 126 unq 0 iso 0 dist 7.68174 9.3182 8.8359 5.11016 8.66815 6.36968 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 6.93136 5.73493 6.63984 9.88555 7.16698 5.19932 numMergedOcc 0
12 mol 143 unq 1 iso 0 dist 6.93136 5.73493 6.63984 12.1494 8.68663 11.8496 numMergedOcc 0
13 mol 154 unq 0 iso 0 dist 6.31314 6.14743 8.49918 5.93188 9.82982 11.085 numMergedOcc 0
14 mol 176 unq 0 iso 0 dist 8.27428 7.76905 8.20587 17.7411 9.79338 15.1365 numMergedOcc 0
15 mol 176 unq 1 iso 0 dist 8.27428 15.212 7.67133 17.7411 9.79338 4.14604 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 4.97005 13.1124 9.05979 10.2673 8.57801 10.6388 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 5.67811 4.96821 8.83254 9.71205 8.17226 11.0223 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 8.63008 15.0013 9.13708 5.39223 5.53324 13.2622 numMergedOcc 0
19 mol 194 unq 1 iso 0 dist 8.63008 15.0013 9.13708 11.8568 6.72182 14.7732 numMergedOcc 0
20 mol 210 unq 0 iso 0 dist 9.05206 9.98896 8.53457 4.86533 9.14831 5.80754 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 9.33735 9.25003 5.05201 13.5696 5.28771 5.78524 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 8.84798 9.69939 7.92537 14.4305 5.8304 11.481 numMergedOcc 0
23 mol 279 unq 1 iso 0 dist 8.84798 9.69939 7.92537 6.08238 7.37478 11.9254 numMergedOcc 0
