0 mol 0 unq 0 iso 0 dist 9.83355 5.47921 6.26831 10.651 6.34883 9.6994 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.83355 5.47921 6.26831 6.94181 9.19662 7.15528 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 8.88219 7.49611 9.56794 11.0244 6.05328 7.65806 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 9.97991 11.1182 8.44506 19.2753 13.2876 8.34347 numMergedOcc 0
4 mol 71 unq 0 iso 0 dist 9.90053 6.44499 7.77916 12.9508 6.6504 7.38797 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 8.09408 6.38992 8.00777 11.2447 5.08358 7.95579 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 8.09408 9.13494 7.1589 13.7005 6.37974 7.97049 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 8.09408 9.13494 7.1589 11.2447 5.08358 6.19965 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 9.60416 11.8887 7.26086 12.9146 7.32662 5.08437 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 9.60416 11.8887 7.26086 17.6559 13.4985 6.48948 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 9.60416 11.8887 7.26086 14.9393 6.934 6.10456 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 6.07991 9.52181 6.34525 11.8382 11.128 7.5732 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 9.03491 7.12329 5.74857 12.5786 6.08806 6.11741 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 9.03491 7.12329 5.74857 9.93482 7.21418 7.88312 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 7.20629 4.6251 7.77116 8.62648 3.78311 8.73993 numMergedOcc 0
15 mol 126 unq 0 iso 0 dist 9.31118 5.50061 9.46588 6.24392 5.5703 6.06638 numMergedOcc 0
16 mol 126 unq 1 iso 0 dist 8.44104 13.2671 9.46588 11.8562 5.5703 6.06638 numMergedOcc 0
17 mol 156 unq 0 iso 0 dist 9.40992 16.4706 9.43259 13.8708 6.44255 8.34702 numMergedOcc 0
18 mol 156 unq 1 iso 0 dist 7.44879 12.6787 9.43259 12.687 6.44255 8.34702 numMergedOcc 0
19 mol 156 unq 2 iso 0 dist 7.64275 12.6787 6.2319 12.687 5.82636 8.34702 numMergedOcc 0
20 mol 156 unq 3 iso 0 dist 7.64275 16.7351 9.97732 12.687 5.82636 9.06726 numMergedOcc 0
21 mol 170 unq 0 iso 0 dist 5.59924 7.62198 8.15099 12.4653 7.72147 9.76807 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 6.86144 5.65167 6.51749 14.2227 13.8722 9.1374 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 6.86144 5.65167 6.51749 10.1105 5.93488 5.98885 numMergedOcc 0
24 mol 181 unq 2 iso 0 dist 6.86144 5.65167 6.51749 13.0338 7.64267 9.15386 numMergedOcc 0
25 mol 181 unq 3 iso 0 dist 6.86144 9.23179 7.20392 10.1105 5.93488 9.09537 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 6.58421 5.77884 7.20574 12.2764 8.90184 7.54065 numMergedOcc 0
27 mol 186 unq 1 iso 0 dist 6.58421 7.02436 6.85302 12.2764 8.90184 8.87694 numMergedOcc 0
28 mol 186 unq 2 iso 0 dist 6.58421 7.02436 6.85302 10.812 4.37002 9.09754 numMergedOcc 0
29 mol 186 unq 3 iso 0 dist 5.31166 8.88219 8.64409 12.8237 9.97575 9.09754 numMergedOcc 0
30 mol 209 unq 0 iso 0 dist 9.93982 9.80484 8.41195 6.14896 4.90038 7.56373 numMergedOcc 0
31 mol 209 unq 1 iso 0 dist 9.9518 11.2558 8.41195 10.795 4.90038 7.56373 numMergedOcc 0
32 mol 214 unq 0 iso 0 dist 7.30003 5.68711 6.38157 13.6328 7.38025 9.65138 numMergedOcc 0
33 mol 214 unq 1 iso 0 dist 7.30003 5.68711 6.38157 11.6154 9.35273 7.14453 numMergedOcc 0
34 mol 214 unq 2 iso 0 dist 7.30003 5.68711 6.38157 11.5105 5.63388 8.85478 numMergedOcc 0
35 mol 222 unq 0 iso 0 dist 7.11989 12.6853 7.862 13.0107 6.42798 6.00706 numMergedOcc 0
36 mol 232 unq 0 iso 0 dist 8.73422 6.64614 7.83711 13.6896 8.25884 8.27212 numMergedOcc 0
37 mol 238 unq 0 iso 0 dist 9.28463 9.99053 7.32982 11.3262 12.3808 5.72887 numMergedOcc 0
38 mol 252 unq 0 iso 0 dist 6.97105 7.59919 8.47784 7.93609 5.89666 8.1148 numMergedOcc 0
39 mol 252 unq 1 iso 0 dist 6.97105 7.59919 8.47784 13.7964 10.672 8.1715 numMergedOcc 0
40 mol 253 unq 0 iso 0 dist 8.72947 13.1177 7.77998 18.8416 13.6942 9.02271 numMergedOcc 0
41 mol 259 unq 0 iso 0 dist 8.30744 11.2159 8.55558 10.367 5.60748 7.46176 numMergedOcc 0
42 mol 259 unq 1 iso 0 dist 8.30744 5.43184 8.59697 8.57619 7.31951 5.30224 numMergedOcc 0
43 mol 272 unq 0 iso 0 dist 4.80092 7.33684 9.64269 7.31993 4.86504 9.97651 numMergedOcc 0
44 mol 272 unq 1 iso 0 dist 4.80092 10.4451 8.46061 12.3168 8.7909 8.33638 numMergedOcc 0
45 mol 272 unq 2 iso 0 dist 4.80092 10.4451 8.46061 7.31993 4.86504 8.46116 numMergedOcc 0
