0 mol 26 unq 0 iso 0 dist 5.98456 5.16784 5.81836 6.17217 4.27162 6.74848 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 9.76721 9.93763 7.43804 7.42669 5.92112 7.45532 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 7.11102 7.39536 7.3576 10.1056 10.4286 6.99108 numMergedOcc 0
3 mol 56 unq 1 iso 0 dist 8.48054 11.4735 7.3576 14.0226 10.4286 6.99108 numMergedOcc 0
4 mol 75 unq 0 iso 0 dist 8.47416 12.4295 9.4871 17.3735 11.0435 7.6433 numMergedOcc 0
5 mol 83 unq 0 iso 0 dist 8.79457 4.07807 7.38379 5.91009 4.16056 6.03429 numMergedOcc 0
6 mol 83 unq 1 iso 0 dist 9.25264 11.1783 7.38379 11.4019 4.16056 6.03429 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 9.27456 4.39271 6.00564 10.4828 4.58085 8.70863 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.98606 7.07175 9.93806 10.5329 11.3027 8.57827 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 9.98606 7.07175 9.93806 10.8943 4.64144 7.94453 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 7.46162 6.64646 7.7186 8.4733 11.7528 9.9151 numMergedOcc 0
11 mol 162 unq 0 iso 0 dist 8.99034 5.5367 6.00293 12.0536 8.06906 7.14263 numMergedOcc 0
12 mol 162 unq 1 iso 0 dist 8.99034 5.5367 6.00293 8.63323 6.76865 8.57005 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 8.49856 6.61278 6.59925 14.3353 11.3868 8.05247 numMergedOcc 0
14 mol 175 unq 1 iso 0 dist 8.49856 6.61278 6.59925 13.6335 11.3992 9.71028 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 8.25305 8.36403 9.85415 10.768 11.0113 5.95375 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 8.25305 8.4512 6.61806 10.768 11.0113 9.17946 numMergedOcc 0
17 mol 205 unq 2 iso 0 dist 9.67328 9.70781 8.24405 12.4206 6.29383 5.95375 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 7.03647 9.67929 9.18343 13.0845 6.88681 9.23935 numMergedOcc 0
19 mol 225 unq 1 iso 0 dist 7.03647 9.67929 9.18343 9.79196 4.55231 7.77552 numMergedOcc 0
20 mol 230 unq 0 iso 0 dist 8.74988 4.97784 7.81987 12.5468 11.3876 8.34416 numMergedOcc 0
21 mol 230 unq 1 iso 0 dist 8.74988 4.97784 7.81987 10.4536 6.78617 6.34832 numMergedOcc 0
22 mol 237 unq 0 iso 0 dist 7.11512 6.68355 8.32964 12.5878 13.1376 6.07878 numMergedOcc 0
23 mol 237 unq 1 iso 0 dist 7.11512 6.68355 8.32964 13.5838 11.0035 7.80422 numMergedOcc 0
24 mol 237 unq 2 iso 0 dist 7.11512 6.68355 8.32964 8.42502 5.31202 5.06628 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 8.4485 4.88527 8.65191 8.12414 6.08477 9.91199 numMergedOcc 0
