0 mol 0 unq 0 iso 0 dist 7.20999 5.56011 7.65806 8.04761 7.46173 6.50942 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 6.94181 5.47921 7.15528 5.76921 9.07223 6.40255 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 7.32392 15.5277 9.60499 7.20175 7.5706 10.5551 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 4.92734 7.35767 8.96553 6.37711 5.89134 4.41134 numMergedOcc 0
4 mol 51 unq 0 iso 0 dist 9.23497 6.03084 9.0709 9.50403 7.52921 11.0025 numMergedOcc 0
5 mol 52 unq 0 iso 0 dist 5.26018 12.8491 9.80098 9.9383 5.75761 6.55615 numMergedOcc 0
6 mol 52 unq 1 iso 0 dist 5.26018 10.3287 7.34143 9.9383 5.75761 9.64358 numMergedOcc 0
7 mol 52 unq 2 iso 0 dist 7.1203 5.92851 9.80098 5.29002 5.75761 6.55615 numMergedOcc 0
8 mol 52 unq 3 iso 0 dist 7.1203 6.03647 7.34143 5.29002 5.75761 9.64358 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 6.68311 8.1124 8.8178 13.3913 8.96978 8.39969 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 6.68311 15.0607 9.96708 13.3913 8.96978 4.45372 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 8.124 13.4367 6.19304 16.278 9.79143 7.9151 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 8.16299 10.3774 8.70481 5.9581 6.43377 7.9151 numMergedOcc 0
13 mol 73 unq 2 iso 0 dist 8.27015 12.6626 8.70481 13.8631 6.43377 7.9151 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 6.56728 11.609 7.47541 6.48722 5.62635 10.4545 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 6.56728 11.609 7.47541 5.31948 7.07868 9.87083 numMergedOcc 0
16 mol 85 unq 2 iso 0 dist 6.56728 13.5384 7.66905 6.48722 5.62635 12.3178 numMergedOcc 0
17 mol 85 unq 3 iso 0 dist 6.56728 13.5384 7.66905 5.31948 7.07868 11.3372 numMergedOcc 0
18 mol 85 unq 4 iso 0 dist 6.56728 5.29763 5.73196 6.48722 5.62635 7.43006 numMergedOcc 0
19 mol 85 unq 5 iso 0 dist 6.56728 5.29763 5.73196 5.31948 7.07868 4.60756 numMergedOcc 0
20 mol 86 unq 0 iso 0 dist 8.40609 9.54732 9.5497 11.4177 6.81209 7.71512 numMergedOcc 0
21 mol 100 unq 0 iso 0 dist 8.22596 5.11615 8.87449 5.37902 4.5985 5.1283 numMergedOcc 0
22 mol 117 unq 0 iso 0 dist 7.0318 8.12649 9.84395 9.50632 8.2236 10.0324 numMergedOcc 0
23 mol 117 unq 1 iso 0 dist 7.0318 5.21051 7.90328 9.50632 8.2236 11.1062 numMergedOcc 0
24 mol 119 unq 0 iso 0 dist 8.62648 4.6251 8.73993 10.2909 6.69217 11.3981 numMergedOcc 0
25 mol 229 unq 0 iso 0 dist 5.00457 5.65373 7.03423 7.23814 7.38552 5.31837 numMergedOcc 0
26 mol 229 unq 1 iso 0 dist 5.00457 6.23084 9.06952 7.23814 7.38552 4.74734 numMergedOcc 0
27 mol 230 unq 0 iso 0 dist 5.62804 6.33989 6.7547 6.73176 5.31963 4.98428 numMergedOcc 0
28 mol 239 unq 0 iso 0 dist 8.61729 7.02319 6.16342 13.9112 6.8597 9.26426 numMergedOcc 0
29 mol 239 unq 1 iso 0 dist 6.83046 4.77446 6.16342 5.86234 5.45139 4.86449 numMergedOcc 0
30 mol 256 unq 0 iso 0 dist 5.98967 6.64029 8.29103 8.0817 9.72168 12.0476 numMergedOcc 0
31 mol 258 unq 0 iso 0 dist 8.9706 5.70285 6.60405 7.32623 8.14531 4.88549 numMergedOcc 0
32 mol 258 unq 1 iso 0 dist 8.9706 6.50871 6.42289 7.32623 8.14531 10.8069 numMergedOcc 0
