0 mol 7 unq 0 iso 0 dist 6.28925 9.68596 5.82034 9.87885 5.35168 10.1841 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 7.89702 7.03958 5.13275 6.56356 5.74008 4.1204 numMergedOcc 0
2 mol 21 unq 0 iso 0 dist 9.35137 9.06424 4.8139 5.93898 4.32991 6.17993 numMergedOcc 0
3 mol 21 unq 1 iso 0 dist 7.81429 9.06424 12.1147 5.93898 9.28636 6.17993 numMergedOcc 0
4 mol 21 unq 2 iso 0 dist 9.39415 9.06424 13.6338 5.93898 8.91628 6.17993 numMergedOcc 0
5 mol 30 unq 0 iso 0 dist 5.61656 7.12365 6.10786 6.07517 8.74649 4.98558 numMergedOcc 0
6 mol 30 unq 1 iso 0 dist 7.22242 7.12365 8.35022 6.07517 10.9847 4.98558 numMergedOcc 0
7 mol 30 unq 2 iso 0 dist 6.95343 8.1284 6.10786 6.74179 8.74649 4.98558 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 5.63261 7.07339 6.48832 7.16132 7.35491 7.06251 numMergedOcc 0
9 mol 54 unq 1 iso 0 dist 5.63261 7.23317 5.00469 7.16132 7.35491 3.81228 numMergedOcc 0
10 mol 62 unq 0 iso 0 dist 7.13406 7.56205 9.89877 9.69044 9.55794 4.09232 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 8.96978 9.27838 10.2373 7.12321 6.82436 14.005 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 4.5985 7.80975 4.71426 9.90751 10.3433 15.0328 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 4.5985 7.80975 4.71426 9.21662 8.59989 12.48 numMergedOcc 0
14 mol 108 unq 0 iso 0 dist 9.56285 9.01852 10.0128 7.93045 4.30919 10.2851 numMergedOcc 0
15 mol 108 unq 1 iso 0 dist 9.56285 9.75958 6.46036 7.93045 4.30919 4.05553 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 9.70093 8.00003 4.2439 8.95212 10.9729 12.3661 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 6.69217 6.52773 7.03042 7.64052 10.9729 5.37917 numMergedOcc 0
18 mol 119 unq 2 iso 0 dist 6.69217 9.23858 10.0127 7.64052 10.9729 15.7711 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 8.47008 5.94469 11.0205 6.64173 7.11838 4.98436 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 8.47008 5.94469 11.0205 9.01624 8.25265 11.9796 numMergedOcc 0
21 mol 181 unq 2 iso 0 dist 8.47008 5.94469 11.0205 9.55105 5.42919 12.3589 numMergedOcc 0
22 mol 195 unq 0 iso 0 dist 6.42016 7.36683 10.9989 7.41662 4.16334 8.90504 numMergedOcc 0
23 mol 195 unq 1 iso 0 dist 6.42016 6.95086 6.66806 7.41662 4.16334 5.60628 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 6.52987 6.03688 7.69374 6.52816 11.2311 5.28417 numMergedOcc 0
25 mol 213 unq 0 iso 0 dist 8.29133 7.37798 14.6555 8.21793 9.56732 8.75651 numMergedOcc 0
26 mol 213 unq 1 iso 0 dist 8.29133 7.73322 4.14961 8.21793 9.56732 8.99471 numMergedOcc 0
27 mol 213 unq 2 iso 0 dist 8.96646 8.14332 4.14961 8.22569 9.80335 6.60887 numMergedOcc 0
28 mol 213 unq 3 iso 0 dist 7.2016 8.14332 12.2386 8.22569 11.8408 6.60887 numMergedOcc 0
29 mol 219 unq 0 iso 0 dist 5.40597 7.59632 9.99563 4.33238 4.27314 5.75906 numMergedOcc 0
30 mol 235 unq 0 iso 0 dist 7.48753 8.69356 7.26986 8.19317 5.67913 10.0135 numMergedOcc 0
31 mol 235 unq 1 iso 0 dist 7.48753 8.69356 7.26986 6.29377 4.80217 5.2878 numMergedOcc 0
32 mol 273 unq 0 iso 0 dist 9.82018 8.49177 5.91142 9.59325 4.04219 3.78984 numMergedOcc 0
33 mol 284 unq 0 iso 0 dist 8.06073 6.78191 8.34088 5.83329 5.22292 8.8835 numMergedOcc 0
