0 mol 25 unq 0 iso 0 dist 6.23095 6.06832 5.81959 6.74298 5.52519 5.44124 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 8.21595 5.77009 8.7817 12.8569 14.3077 7.57624 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 9.60744 5.77009 7.55415 12.8569 10.3139 7.57624 numMergedOcc 0
3 mol 42 unq 0 iso 0 dist 6.86731 8.13252 9.16649 9.54121 5.65461 6.83373 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 8.96238 6.5705 6.77886 12.229 9.56076 9.53772 numMergedOcc 0
5 mol 56 unq 1 iso 0 dist 8.96238 6.5705 6.77886 7.49284 11.2895 7.3576 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.124 16.0036 8.73253 16.0125 10.4159 9.22853 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 9.04546 10.1874 7.71107 14.0997 6.3561 6.98727 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 7.85527 8.79034 6.98934 15.419 8.87718 8.3642 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 7.85527 8.79034 6.98934 9.46689 4.72999 4.31261 numMergedOcc 0
10 mol 119 unq 2 iso 0 dist 7.85527 5.53632 7.99623 9.46689 4.72999 7.7186 numMergedOcc 0
11 mol 119 unq 3 iso 0 dist 8.62648 8.9683 8.56342 13.8337 6.42493 8.81779 numMergedOcc 0
12 mol 159 unq 0 iso 0 dist 7.47975 9.78249 7.25742 14.2266 7.44124 8.02691 numMergedOcc 0
13 mol 171 unq 0 iso 0 dist 7.13441 6.15895 5.10618 12.6173 11.8746 7.75632 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 6.15806 6.37333 5.60393 8.09352 9.41884 6.61806 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 6.15806 6.37333 5.60393 14.0968 12.3578 7.85966 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 8.71409 3.99796 5.37446 10.0781 7.09658 9.40123 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 9.60159 11.2986 8.38865 13.5176 6.21901 7.14633 numMergedOcc 0
18 mol 227 unq 1 iso 0 dist 9.60159 11.2986 8.38865 12.484 13.798 9.94302 numMergedOcc 0
19 mol 230 unq 0 iso 0 dist 5.62804 10.1088 6.41286 15.7801 10.3804 7.81987 numMergedOcc 0
20 mol 240 unq 0 iso 0 dist 9.68888 17.2138 9.47583 15.7896 11.6095 7.35934 numMergedOcc 0
21 mol 251 unq 0 iso 0 dist 7.54763 8.51564 8.01198 10.1958 7.703 6.12282 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 8.21585 12.2193 7.99477 16.3401 8.40328 8.65191 numMergedOcc 0
23 mol 272 unq 0 iso 0 dist 7.31993 11.4436 9.19033 12.4607 5.99934 7.64992 numMergedOcc 0
24 mol 276 unq 0 iso 0 dist 8.54938 5.38576 7.88706 10.1999 13.2807 9.2211 numMergedOcc 0
25 mol 278 unq 0 iso 0 dist 7.58272 12.325 7.67245 13.5715 7.0588 7.92718 numMergedOcc 0
