0 mol 0 unq 0 iso 0 dist 6.26831 7.40865 5.73813 5.24778 6.64713 10.4616 10.7845 8.39054 9.12959 9.38507 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 8.52463 9.36461 6.72323 16.3188 15.6099 12.2839 7.85986 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.60423 9.41441 11.9395 8.52463 9.36461 6.72323 12.0986 12.5557 6.22954 4.30252 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 4.93188 8.70827 9.75636 5.11617 4.90592 12.8389 8.23075 4.21283 12.2271 7.85986 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 4.93188 8.70827 9.75636 5.11617 4.90592 12.8389 4.7841 4.97191 12.6431 4.30252 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 4.93188 6.73939 10.0715 5.11617 4.90592 6.72323 8.23075 4.21283 12.2839 7.85986 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 4.93188 6.73939 10.0715 5.11617 4.90592 6.72323 4.7841 4.97191 6.22954 4.30252 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 9.24958 9.12854 9.75636 13.2229 4.90592 12.8389 10.551 4.21283 12.2271 7.85986 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 9.24958 9.12854 9.75636 13.2229 4.90592 12.8389 14.1707 4.97191 12.6431 4.30252 numMergedOcc 0
9 mol 44 unq 0 iso 0 dist 7.52117 9.6782 5.1728 4.55437 7.03307 7.48846 11.0768 10.0772 8.06674 6.53981 numMergedOcc 0
10 mol 44 unq 1 iso 0 dist 7.52117 9.6782 5.1728 6.16231 7.25707 10.3462 11.0768 10.0772 8.06674 9.14809 numMergedOcc 0
11 mol 56 unq 0 iso 0 dist 6.77886 7.16773 8.25666 10.0962 6.99108 14.7378 10.3805 3.91174 9.68887 9.09425 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 8.65802 7.52354 5.8102 13.534 8.57827 12.3938 11.7686 5.19513 5.69037 9.22418 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 7.99623 8.99399 4.99495 7.45148 9.9151 7.20249 7.60162 8.90156 5.77063 6.21165 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 8.03372 9.36851 6.84211 4.55551 9.94578 9.73158 12.0878 11.1054 9.06432 8.98175 numMergedOcc 0
15 mol 129 unq 1 iso 0 dist 8.03372 4.97175 4.53459 4.55551 9.94578 7.59327 12.0878 11.1054 11.2951 8.98175 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 9.29384 8.70296 10.8127 13.1439 5.44303 15.6807 18.8134 9.93041 17.2723 8.47526 numMergedOcc 0
17 mol 131 unq 1 iso 0 dist 9.29384 9.25558 11.2516 13.1439 5.44303 14.8175 18.8134 9.93041 20.4688 8.47526 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 5.60393 5.44002 8.46033 14.4523 9.17946 17.31 16.9049 11.5523 17.7065 6.81516 numMergedOcc 0
19 mol 205 unq 1 iso 0 dist 5.60393 5.44002 8.46033 14.4523 9.17946 17.31 13.4668 10.2944 15.152 9.17562 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 7.83711 9.05071 13.8622 4.9377 6.57921 9.8664 8.25985 6.20756 12.159 9.78273 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 9.56685 9.85289 5.36428 5.29529 8.2997 6.88827 11.8311 13.6012 8.87313 8.09181 numMergedOcc 0
