0 mol 20 unq 0 iso 0 dist 8.91904 6.18007 5.86761 6.54413 8.73193 9.84488 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 9.69419 8.83919 11.1621 3.75636 10.1492 5.31095 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 6.22956 8.39335 10.0772 4.48499 10.552 8.70827 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 6.22956 8.39335 10.0772 3.84261 6.40757 9.86479 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 9.51587 8.39335 8.43579 4.48499 12.899 8.70827 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 9.51587 8.39335 8.43579 3.84261 10.1558 9.86479 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 7.78459 7.97266 6.56825 3.65935 9.5771 9.24005 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 7.78459 7.97266 6.56825 6.43064 8.60452 7.88846 numMergedOcc 0
8 mol 111 unq 0 iso 0 dist 7.95205 6.33923 4.58626 9.12385 10.8801 6.34004 numMergedOcc 0
9 mol 111 unq 1 iso 0 dist 8.38367 5.53271 10.0002 6.02783 14.2902 7.24101 numMergedOcc 0
10 mol 111 unq 2 iso 0 dist 5.05141 5.53271 4.88926 6.02783 7.22098 7.24101 numMergedOcc 0
11 mol 124 unq 0 iso 0 dist 5.69775 8.06631 8.5036 8.83242 13.0267 9.0745 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 8.71294 6.3472 7.67657 4.4872 10.9086 6.53017 numMergedOcc 0
13 mol 185 unq 0 iso 0 dist 9.20346 8.60009 6.6815 9.74741 13.2377 8.22259 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 8.14413 8.20259 5.30972 16.3871 8.78286 9.41473 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 9.98753 6.23243 10.6705 7.44283 14.4855 8.15802 numMergedOcc 0
16 mol 284 unq 0 iso 0 dist 8.45487 5.2862 4.93279 3.77325 11.1307 8.82497 numMergedOcc 0
17 mol 284 unq 1 iso 0 dist 8.72299 5.31097 4.93279 6.03076 11.1307 8.82497 numMergedOcc 0
18 mol 294 unq 0 iso 0 dist 5.47073 7.58948 9.78727 14.3928 15.064 9.255 numMergedOcc 0
