0 mol 7 unq 0 iso 0 dist 7.21217 12.4418 9.36807 13.2513 13.2247 6.36911 12.8055 13.8829 9.97624 5.03847 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 9.69454 8.47464 6.00439 13.6876 7.83352 6.20943 13.0639 4.42145 9.85134 10.943 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 9.69454 8.47464 6.00439 13.6876 7.83352 6.20943 10.4238 6.42867 5.82366 4.64838 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 9.69454 8.47464 6.00439 10.6173 10.8007 7.82528 13.0639 4.42145 9.85134 15.119 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 9.69454 8.47464 6.00439 10.6173 10.8007 7.82528 10.4238 6.42867 5.82366 4.97119 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 9.56737 17.0485 8.89374 12.9335 5.35073 8.63333 11.799 5.49591 9.11258 10.2049 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 9.56737 17.0485 8.89374 17.1344 8.62958 6.46761 11.799 5.49591 9.11258 5.85698 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 9.56737 17.0485 8.89374 23.3119 14.176 9.73139 11.799 5.49591 9.11258 12.2123 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 6.6003 5.78769 9.54144 12.2258 10.6748 8.68586 11.9735 11.4485 9.32552 6.21578 numMergedOcc 0
9 mol 87 unq 0 iso 0 dist 8.50159 9.76372 7.51358 12.4093 7.40574 8.32298 13.4955 5.95671 7.2268 7.93998 numMergedOcc 0
10 mol 87 unq 1 iso 0 dist 8.50159 9.76372 7.51358 12.4093 7.40574 8.32298 12.4947 4.33593 9.69219 6.09884 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 9.514 5.02124 5.81965 7.84888 5.02055 7.06013 7.2131 8.55834 7.1539 8.51055 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 9.514 5.02124 5.81965 7.84888 5.02055 7.06013 7.44343 9.50382 5.39745 11.3858 numMergedOcc 0
13 mol 92 unq 2 iso 0 dist 9.514 5.02124 5.81965 13.0248 8.95922 9.70512 7.2131 8.55834 7.1539 7.76866 numMergedOcc 0
14 mol 92 unq 3 iso 0 dist 9.514 5.02124 5.81965 13.0248 8.95922 9.70512 7.44343 9.50382 5.39745 7.56363 numMergedOcc 0
15 mol 92 unq 4 iso 0 dist 7.84888 5.02124 7.06013 9.514 5.02055 5.81965 7.2131 8.51055 7.1539 8.55834 numMergedOcc 0
16 mol 92 unq 5 iso 0 dist 7.84888 5.02124 7.06013 9.514 5.02055 5.81965 7.44343 11.3858 5.39745 9.50382 numMergedOcc 0
17 mol 92 unq 6 iso 0 dist 7.84888 5.02124 7.06013 13.0248 12.4494 9.70512 7.2131 8.51055 7.1539 7.76866 numMergedOcc 0
18 mol 92 unq 7 iso 0 dist 7.84888 5.02124 7.06013 13.0248 12.4494 9.70512 7.44343 11.3858 5.39745 7.56363 numMergedOcc 0
19 mol 100 unq 0 iso 0 dist 7.88564 5.07584 4.76815 11.4822 6.90824 9.39469 12.0785 7.16919 7.09065 9.36726 numMergedOcc 0
20 mol 100 unq 1 iso 0 dist 6.78459 7.59628 4.76815 13.6378 6.90824 9.39469 9.95103 7.16919 7.09065 9.36726 numMergedOcc 0
21 mol 126 unq 0 iso 0 dist 9.54928 13.0595 7.75534 16.0128 7.12167 9.06011 12.4696 6.0268 7.36017 10.1326 numMergedOcc 0
22 mol 126 unq 1 iso 0 dist 9.54928 13.0595 7.75534 16.0128 7.12167 9.06011 16.2098 8.01268 5.14819 6.51507 numMergedOcc 0
23 mol 126 unq 2 iso 0 dist 9.54928 13.0595 7.75534 16.0128 7.12167 9.06011 18.1963 10.2072 6.84245 5.78149 numMergedOcc 0
24 mol 140 unq 0 iso 0 dist 9.93572 5.36419 7.27371 11.7961 6.43459 6.95323 11.4012 7.3833 8.60108 5.64422 numMergedOcc 0
25 mol 141 unq 0 iso 0 dist 6.42756 9.82776 6.93652 11.6435 5.67306 9.54444 12.4715 7.42649 5.26989 8.39549 numMergedOcc 0
26 mol 141 unq 1 iso 0 dist 6.42756 9.82776 6.93652 11.6435 5.67306 9.54444 15.9998 10.6531 7.76442 8.43221 numMergedOcc 0
27 mol 143 unq 0 iso 0 dist 9.61081 6.50232 7.31468 5.46922 5.72828 7.7056 5.75595 10.0059 6.46089 8.57817 numMergedOcc 0
28 mol 143 unq 1 iso 0 dist 5.46922 6.50232 7.7056 9.61081 5.72828 7.31468 5.75595 8.57817 6.46089 10.0059 numMergedOcc 0
29 mol 175 unq 0 iso 0 dist 8.69888 14.6255 9.8589 14.9263 7.42466 7.24908 15.8107 8.29015 5.4997 4.63177 numMergedOcc 0
30 mol 175 unq 1 iso 0 dist 8.69888 14.6255 9.8589 14.9263 7.42466 7.24908 21.213 14.7282 6.99693 9.30597 numMergedOcc 0
31 mol 175 unq 2 iso 0 dist 5.08206 11.5085 9.8589 11.7895 7.42466 7.24908 11.0322 8.29015 5.4997 4.63177 numMergedOcc 0
32 mol 175 unq 3 iso 0 dist 5.08206 11.5085 9.8589 11.7895 7.42466 7.24908 17.0306 14.7282 6.99693 9.30597 numMergedOcc 0
33 mol 235 unq 0 iso 0 dist 7.2346 9.5053 7.32211 15.0241 15.4 9.58736 13.0195 6.46722 7.31773 15.6327 numMergedOcc 0
34 mol 235 unq 1 iso 0 dist 7.2346 9.5053 7.32211 18.2941 14.4107 9.43058 13.0195 6.46722 7.31773 10.632 numMergedOcc 0
35 mol 235 unq 2 iso 0 dist 7.2346 9.5053 7.32211 17.002 11.3789 8.75735 13.0195 6.46722 7.31773 6.01041 numMergedOcc 0
36 mol 235 unq 3 iso 0 dist 7.2346 9.5053 7.32211 10.5214 7.218 6.98084 13.0195 6.46722 7.31773 6.82855 numMergedOcc 0
37 mol 259 unq 0 iso 0 dist 9.58006 15.1483 7.48005 17.4878 12.5353 8.37865 9.69025 8.81835 8.71497 8.75685 numMergedOcc 0
