0 mol 24 unq 0 iso 0 dist 5.42968 5.09348 7.18124 6.2838 7.85986 3.4435 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.42968 12.7612 8.10168 6.2838 7.85986 15.6705 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 5.94343 5.09348 6.47026 11.9306 7.03544 9.4199 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 5.94343 5.09348 6.47026 6.2838 4.30252 3.4435 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.6367 10.8745 6.89022 5.54621 8.75957 8.89627 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 9.63946 4.65377 6.89022 8.86919 8.75957 8.89627 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 8.32519 9.29223 5.83263 5.40878 8.21895 10.029 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 8.37507 6.41742 8.98763 16.6073 9.69694 13.3257 numMergedOcc 0
8 mol 111 unq 0 iso 0 dist 9.83758 13.2471 6.34004 16.4374 9.72371 3.67964 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 6.61697 9.94078 8.46167 4.68082 7.40338 8.69658 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 6.61697 9.94078 8.46167 5.60987 6.23759 11.1416 numMergedOcc 0
11 mol 124 unq 0 iso 0 dist 6.67979 13.3768 9.0745 6.12676 8.65859 10.4403 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 9.22913 12.9231 8.23543 14.894 6.75593 6.30849 numMergedOcc 0
13 mol 169 unq 0 iso 0 dist 6.85177 5.00783 9.39809 4.67112 7.85698 8.16591 numMergedOcc 0
14 mol 169 unq 1 iso 0 dist 6.85177 5.00783 9.39809 5.50901 6.35799 10.2799 numMergedOcc 0
15 mol 182 unq 0 iso 0 dist 7.12941 5.54591 7.30461 9.60519 9.98182 13.9381 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 9.2814 8.35709 5.24631 5.46134 7.24614 4.52218 numMergedOcc 0
17 mol 230 unq 0 iso 0 dist 8.32382 4.07325 9.28671 10.6874 8.91416 13.7681 numMergedOcc 0
18 mol 254 unq 0 iso 0 dist 7.57834 10.4418 6.34051 6.44245 9.50951 12.3017 numMergedOcc 0
19 mol 254 unq 1 iso 0 dist 5.75348 8.25455 6.34051 10.9422 9.50951 12.3017 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 8.82533 7.79908 7.59138 8.90141 7.08328 3.63667 numMergedOcc 0
