0 mol 27 unq 0 iso 0 dist 9.77484 10.1814 8.11206 12.2831 7.56229 10.8529 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 9.77484 10.1814 8.11206 12.8759 9.94082 3.71141 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 7.06308 9.01651 8.59109 4.11544 9.32294 10.7029 numMergedOcc 0
3 mol 45 unq 1 iso 0 dist 6.34173 6.89191 8.59109 4.91588 9.32294 10.7029 numMergedOcc 0
4 mol 45 unq 2 iso 0 dist 9.43442 5.54436 8.59109 6.30358 9.32294 10.7029 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 8.71128 9.2907 7.36816 9.48108 9.18917 4.62296 numMergedOcc 0
6 mol 114 unq 1 iso 0 dist 7.52743 5.33327 7.36816 3.9247 9.18917 4.62296 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 7.76729 6.34759 7.99631 10.3986 9.79579 4.29029 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 7.76729 10.2377 6.40036 10.3986 9.79579 11.2787 numMergedOcc 0
9 mol 115 unq 2 iso 0 dist 7.64585 10.7942 6.40036 10.3233 9.6234 11.5147 numMergedOcc 0
10 mol 173 unq 0 iso 0 dist 7.93331 13.3053 9.79554 9.29601 6.21271 10.6988 numMergedOcc 0
11 mol 173 unq 1 iso 0 dist 7.93331 13.3053 9.79554 10.1797 8.94895 16.727 numMergedOcc 0
12 mol 173 unq 2 iso 0 dist 6.98095 8.94065 9.79554 9.18996 6.21271 10.6988 numMergedOcc 0
13 mol 173 unq 3 iso 0 dist 6.98095 8.94065 9.79554 12.6799 8.94895 16.727 numMergedOcc 0
14 mol 173 unq 4 iso 0 dist 8.31897 14.2537 9.79554 6.25855 6.21271 10.6988 numMergedOcc 0
15 mol 173 unq 5 iso 0 dist 8.31897 14.2537 9.79554 6.06124 8.94895 16.727 numMergedOcc 0
16 mol 187 unq 0 iso 0 dist 9.27478 6.62321 7.01496 6.93763 9.24742 7.3711 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 9.62609 8.8709 6.152 10.9445 9.15202 5.45009 numMergedOcc 0
18 mol 227 unq 1 iso 0 dist 8.17891 13.3557 7.95168 13.798 6.38497 5.45009 numMergedOcc 0
19 mol 227 unq 2 iso 0 dist 6.95902 8.8709 7.95168 10.9445 6.38497 5.45009 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 7.07392 6.66754 9.86861 6.85437 7.65744 6.42816 numMergedOcc 0
21 mol 232 unq 1 iso 0 dist 9.62952 5.82592 9.86861 4.28603 7.65744 6.42816 numMergedOcc 0
22 mol 235 unq 0 iso 0 dist 5.65339 6.43692 7.27958 10.8002 7.65432 11.7025 numMergedOcc 0
23 mol 243 unq 0 iso 0 dist 8.61104 6.55284 9.1101 7.32025 5.31262 11.3837 numMergedOcc 0
24 mol 243 unq 1 iso 0 dist 8.61104 10.5389 8.93338 7.32025 5.31262 11.6161 numMergedOcc 0
25 mol 250 unq 0 iso 0 dist 8.80086 11.0402 7.88284 10.039 9.71687 7.56569 numMergedOcc 0
26 mol 250 unq 1 iso 0 dist 8.80086 7.26274 9.88279 10.039 9.71687 8.6004 numMergedOcc 0
