0 mol 30 unq 0 iso 0 dist 7.85546 11.8955 9.40183 11.3313 4.03124 8.25499 numMergedOcc 0
1 mol 67 unq 0 iso 0 dist 7.98453 14.8966 9.67641 18.2759 10.4188 9.25638 numMergedOcc 0
2 mol 67 unq 1 iso 0 dist 7.98453 14.8966 9.67641 14.2197 6.56501 8.01856 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 9.2958 10.8938 4.73362 11.9931 4.98309 9.225 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 9.2958 15.0549 7.3795 14.3217 7.75939 5.37449 numMergedOcc 0
5 mol 76 unq 2 iso 0 dist 9.2958 15.0549 7.3795 11.9931 4.98309 9.52666 numMergedOcc 0
6 mol 76 unq 3 iso 0 dist 8.23534 10.8938 9.61367 11.9931 10.7367 9.225 numMergedOcc 0
7 mol 125 unq 0 iso 0 dist 5.05869 6.57549 8.2793 9.5205 6.58625 8.44933 numMergedOcc 0
8 mol 125 unq 1 iso 0 dist 5.05869 6.57549 8.2793 7.1608 6.67445 7.43803 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 7.38829 10.1577 5.24709 11.3611 4.2484 6.48475 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.93424 7.47861 7.38183 13.7623 9.5453 8.5614 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 6.29351 6.05606 6.00295 10.509 6.65278 5.50879 numMergedOcc 0
12 mol 226 unq 0 iso 0 dist 8.22952 11.1522 6.82883 5.44698 4.66376 8.24741 numMergedOcc 0
13 mol 226 unq 1 iso 0 dist 8.22952 4.8749 8.22518 5.44698 4.66376 5.07958 numMergedOcc 0
14 mol 226 unq 2 iso 0 dist 8.22952 6.81662 6.02803 5.44698 4.66376 6.19519 numMergedOcc 0
15 mol 241 unq 0 iso 0 dist 9.36895 7.64229 9.14228 13.4329 9.30696 8.00841 numMergedOcc 0
16 mol 241 unq 1 iso 0 dist 9.36895 11.8671 9.04127 16.6955 9.39021 7.91178 numMergedOcc 0
17 mol 244 unq 0 iso 0 dist 9.28249 14.7051 5.60146 10.7691 4.89551 6.2667 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 9.3338 9.30565 7.61501 7.81641 6.2981 7.14122 numMergedOcc 0
