0 mol 16 unq 0 iso 0 dist 8.46837 5.66529 5.77753 11.8413 5.38671 7.03948 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.46837 5.66529 5.77753 9.59856 5.45161 5.47769 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 8.46837 5.66529 5.77753 6.84569 6.43294 6.58035 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 9.55978 5.72837 9.04865 13.8314 12.4435 8.23643 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 9.55978 5.72837 9.04865 13.7212 9.84922 8.73972 numMergedOcc 0
5 mol 32 unq 0 iso 0 dist 8.89682 11.483 8.34024 12.1802 14.1006 8.68559 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 5.90391 5.19805 6.94727 6.32012 5.2876 6.99408 numMergedOcc 0
7 mol 45 unq 1 iso 0 dist 5.90391 5.19805 6.94727 10.308 5.28153 9.3403 numMergedOcc 0
8 mol 45 unq 2 iso 0 dist 8.82771 5.48117 6.94727 11.3157 5.2876 6.99408 numMergedOcc 0
9 mol 45 unq 3 iso 0 dist 8.82771 5.48117 6.94727 12.6372 5.28153 9.3403 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 7.84699 10.0721 6.4154 10.1112 10.4716 8.70133 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 7.84699 10.0721 6.4154 6.10011 8.04817 5.64598 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 7.84699 10.0721 6.4154 8.124 5.2774 4.65521 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 7.53504 13.2987 6.4154 16.3948 10.4716 8.70133 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 7.53504 13.2987 6.4154 15.5212 8.04817 5.64598 numMergedOcc 0
15 mol 73 unq 5 iso 0 dist 7.53504 13.2987 6.4154 11.801 5.2774 4.65521 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 7.4658 7.36737 8.15367 14.3769 11.9657 8.36431 numMergedOcc 0
17 mol 102 unq 0 iso 0 dist 7.59973 12.7125 9.50209 12.1389 5.54551 9.94856 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 8.16113 5.97684 5.60716 11.9574 5.56084 6.87861 numMergedOcc 0
19 mol 115 unq 1 iso 0 dist 8.16113 5.97684 5.60716 6.04412 5.71451 6.50039 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 9.21999 6.63186 8.33489 10.9185 15.8885 8.94837 numMergedOcc 0
21 mol 134 unq 1 iso 0 dist 9.21999 6.63186 8.33489 6.54987 10.3334 7.77454 numMergedOcc 0
22 mol 147 unq 0 iso 0 dist 4.95086 5.16833 5.96285 6.87299 5.90364 8.33261 numMergedOcc 0
23 mol 147 unq 1 iso 0 dist 8.39524 8.80049 5.96285 14.1227 5.90364 8.33261 numMergedOcc 0
24 mol 173 unq 0 iso 0 dist 9.17063 9.61315 9.25763 16.9922 15.2665 7.93331 numMergedOcc 0
25 mol 173 unq 1 iso 0 dist 9.17063 9.61315 9.25763 16.0485 12.006 6.98095 numMergedOcc 0
26 mol 173 unq 2 iso 0 dist 9.17063 9.61315 9.25763 15.0603 14.7376 8.31897 numMergedOcc 0
27 mol 173 unq 3 iso 0 dist 9.99332 9.61315 9.63102 16.9922 14.1226 7.93331 numMergedOcc 0
28 mol 173 unq 4 iso 0 dist 9.99332 9.61315 9.63102 16.0485 11.6705 6.98095 numMergedOcc 0
29 mol 173 unq 5 iso 0 dist 9.99332 9.61315 9.63102 15.0603 12.3698 8.31897 numMergedOcc 0
30 mol 175 unq 0 iso 0 dist 7.2067 4.18777 6.84347 11.3009 12.1089 9.31887 numMergedOcc 0
31 mol 194 unq 0 iso 0 dist 5.69866 5.17358 5.40592 9.68918 5.03763 6.47873 numMergedOcc 0
32 mol 194 unq 1 iso 0 dist 5.69866 5.17358 5.40592 13.4844 11.4735 8.38695 numMergedOcc 0
33 mol 214 unq 0 iso 0 dist 5.69733 5.24956 6.35728 11.5105 10.644 7.46831 numMergedOcc 0
34 mol 214 unq 1 iso 0 dist 5.69733 5.24956 6.35728 10.1886 4.82712 8.60247 numMergedOcc 0
35 mol 222 unq 0 iso 0 dist 7.10689 4.78647 5.04916 8.5834 4.28891 7.18956 numMergedOcc 0
36 mol 224 unq 0 iso 0 dist 7.7163 4.92261 8.60781 7.07564 5.63485 6.87664 numMergedOcc 0
37 mol 224 unq 1 iso 0 dist 9.06201 6.78064 8.60781 10.9817 5.63485 6.87664 numMergedOcc 0
38 mol 227 unq 0 iso 0 dist 7.99145 10.2228 8.34104 12.9898 14.9329 8.17891 numMergedOcc 0
39 mol 227 unq 1 iso 0 dist 7.99145 10.2228 8.34104 14.1659 13.2783 6.95902 numMergedOcc 0
40 mol 259 unq 0 iso 0 dist 5.96276 6.34634 5.70124 12.2734 11.9055 6.77938 numMergedOcc 0
41 mol 265 unq 0 iso 0 dist 5.10595 6.10503 9.01586 5.3051 5.11366 6.34034 numMergedOcc 0
42 mol 274 unq 0 iso 0 dist 7.24089 5.06637 5.42845 13.1605 13.002 9.19234 numMergedOcc 0
43 mol 274 unq 1 iso 0 dist 9.96645 6.13137 5.12523 11.4986 5.1874 7.97444 numMergedOcc 0
44 mol 274 unq 2 iso 0 dist 9.29005 5.18671 5.42845 11.1412 13.002 9.19234 numMergedOcc 0
45 mol 274 unq 3 iso 0 dist 8.16746 5.18671 5.62484 11.1412 10.2307 9.19234 numMergedOcc 0
46 mol 274 unq 4 iso 0 dist 9.2447 5.06306 5.12523 10.1296 5.1874 7.97444 numMergedOcc 0
