0 mol 5 unq 0 iso 0 dist 8.70824 5.2392 11.3755 4.91776 6.81899 9.06678 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 5.93404 5.2392 5.90479 4.91776 8.91509 9.06678 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 6.70655 5.2392 4.59167 4.91776 7.89217 9.06678 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 6.70655 5.2392 4.59167 8.54255 6.99733 9.13355 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 9.17447 5.11941 4.6365 6.3575 8.47518 5.87258 numMergedOcc 0
5 mol 46 unq 0 iso 0 dist 8.18251 7.57749 6.28248 7.35107 8.32948 6.03151 numMergedOcc 0
6 mol 46 unq 1 iso 0 dist 5.02642 7.57749 3.66253 7.35107 7.43338 6.03151 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 7.41861 6.63973 6.1999 7.01534 9.26231 12.3818 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 5.74058 5.82945 6.5713 5.76927 6.21554 9.58844 numMergedOcc 0
9 mol 192 unq 0 iso 0 dist 9.78743 7.93715 13.2141 9.99333 5.83093 15.1315 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 8.47833 6.41148 10.1222 9.61557 8.27071 10.2607 numMergedOcc 0
11 mol 205 unq 1 iso 0 dist 5.47586 5.06713 10.1222 7.43264 8.27071 10.2607 numMergedOcc 0
12 mol 205 unq 2 iso 0 dist 5.47586 8.69512 10.4922 7.43264 8.27071 7.84418 numMergedOcc 0
13 mol 212 unq 0 iso 0 dist 8.09185 5.03184 7.52135 9.60101 7.98724 8.43638 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 4.87053 8.86886 6.4817 6.45821 5.17916 7.61739 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 5.83514 6.96382 4.70535 5.12308 7.75366 5.41453 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 4.53228 7.96523 7.26668 4.53635 7.10828 6.0567 numMergedOcc 0
17 mol 247 unq 0 iso 0 dist 9.21409 9.01651 3.42642 8.53302 8.64941 5.52484 numMergedOcc 0
18 mol 247 unq 1 iso 0 dist 9.17812 8.83903 3.42642 9.26852 8.64941 5.52484 numMergedOcc 0
19 mol 283 unq 0 iso 0 dist 5.90728 8.4275 5.55396 7.50871 6.93798 8.39635 numMergedOcc 0
