0 mol 24 unq 0 iso 0 dist 8.0319 11.4109 6.86014 8.67012 9.61998 7.72775 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.80897 12.8257 8.34347 16.5071 7.47201 9.49511 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.37225 8.70636 8.34347 12.7893 7.47201 9.49511 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.03754 14.0204 8.80331 10.0618 6.79185 11.1338 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.03754 13.1056 6.20293 10.0618 6.79185 5.54797 numMergedOcc 0
5 mol 43 unq 2 iso 0 dist 9.47348 9.92508 8.93915 6.88291 8.37962 5.54797 numMergedOcc 0
6 mol 75 unq 0 iso 0 dist 9.20448 14.2474 7.79912 8.9149 7.16975 7.09323 numMergedOcc 0
7 mol 75 unq 1 iso 0 dist 9.20448 12.103 8.56639 8.9149 7.16975 7.92499 numMergedOcc 0
8 mol 75 unq 2 iso 0 dist 9.20448 5.76778 8.59017 8.9149 7.16975 6.68962 numMergedOcc 0
9 mol 75 unq 3 iso 0 dist 6.96759 13.8905 7.79912 9.67317 7.16975 7.09323 numMergedOcc 0
10 mol 75 unq 4 iso 0 dist 6.96759 12.899 8.56639 9.67317 7.16975 7.92499 numMergedOcc 0
11 mol 75 unq 5 iso 0 dist 6.96759 8.41332 8.59017 9.67317 7.16975 6.68962 numMergedOcc 0
12 mol 75 unq 6 iso 0 dist 6.97318 11.2774 7.79912 5.1982 7.16975 7.09323 numMergedOcc 0
13 mol 75 unq 7 iso 0 dist 6.97318 11.0206 8.56639 5.1982 7.16975 7.92499 numMergedOcc 0
14 mol 75 unq 8 iso 0 dist 6.97318 6.56982 8.59017 5.1982 7.16975 6.68962 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 9.1146 11.0256 7.11802 14.6129 9.64695 6.56917 numMergedOcc 0
16 mol 170 unq 0 iso 0 dist 9.32245 6.45787 9.76807 12.6457 9.48574 10.9822 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 8.52924 7.17157 6.03031 4.84384 6.52987 4.92241 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 8.52924 11.993 7.26832 4.84384 6.52987 7.36565 numMergedOcc 0
19 mol 205 unq 2 iso 0 dist 8.52924 9.67882 7.80463 4.84384 6.52987 10.9417 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 8.11407 7.72969 7.7366 9.96802 5.52084 9.81596 numMergedOcc 0
21 mol 229 unq 0 iso 0 dist 8.83023 9.15968 7.03423 12.3361 7.38552 5.31837 numMergedOcc 0
22 mol 229 unq 1 iso 0 dist 8.83023 10.6678 9.06952 12.3361 7.38552 4.74734 numMergedOcc 0
23 mol 234 unq 0 iso 0 dist 5.46736 4.82695 8.34494 10.8632 7.72403 10.3378 numMergedOcc 0
24 mol 234 unq 1 iso 0 dist 5.46736 4.93623 6.56247 10.8632 7.72403 8.83842 numMergedOcc 0
25 mol 234 unq 2 iso 0 dist 5.46736 11.7817 9.36357 10.8632 7.72403 5.43327 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 6.43546 5.54495 7.00034 6.7492 6.09177 6.41859 numMergedOcc 0
27 mol 239 unq 1 iso 0 dist 6.43546 5.54495 7.00034 11.973 7.18198 9.00586 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 9.04358 8.81588 6.60405 10.0891 8.14531 4.88549 numMergedOcc 0
29 mol 258 unq 1 iso 0 dist 9.04358 5.90131 6.42289 10.0891 8.14531 10.8069 numMergedOcc 0
30 mol 273 unq 0 iso 0 dist 9.37841 9.71586 9.01049 10.5944 9.82018 11.528 numMergedOcc 0
