0 mol 6 unq 0 iso 0 dist 7.76205 13.4333 9.07564 14.4738 6.94663 9.5447 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 4.9983 3.62638 5.64092 6.27321 3.99506 7.98985 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 5.98764 5.42116 4.27766 9.32435 4.1846 5.7684 numMergedOcc 0
3 mol 107 unq 0 iso 0 dist 7.09988 12.4206 6.49371 14.2999 8.49625 5.33764 numMergedOcc 0
4 mol 107 unq 1 iso 0 dist 7.73898 9.55354 6.49371 12.634 8.49625 5.33764 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 6.36631 13.8532 8.67025 10.8474 6.29259 9.30645 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 8.68246 6.6473 6.76852 10.2954 14.5488 7.83568 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 9.22913 11.0797 9.92715 16.7298 17.5034 7.58337 numMergedOcc 0
8 mol 162 unq 0 iso 0 dist 8.7019 7.06734 8.33649 13.4902 8.40035 8.33407 numMergedOcc 0
9 mol 169 unq 0 iso 0 dist 7.07933 6.43144 9.06172 8.59976 5.68902 6.0859 numMergedOcc 0
10 mol 169 unq 1 iso 0 dist 7.07933 6.43144 9.06172 9.71763 3.83687 9.15283 numMergedOcc 0
11 mol 169 unq 2 iso 0 dist 7.07933 6.37039 8.93091 8.59976 5.68902 6.05009 numMergedOcc 0
12 mol 184 unq 0 iso 0 dist 8.77932 8.04827 7.25623 6.71675 5.69882 7.81263 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 8.86574 6.21482 9.34653 10.6368 13.2309 6.88127 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 9.32969 13.385 4.45769 11.2921 3.7326 4.19371 numMergedOcc 0
15 mol 194 unq 1 iso 0 dist 9.32969 17.9971 8.99961 11.2921 3.7326 9.71015 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 9.2814 8.70638 7.4185 13.2198 5.27881 8.31721 numMergedOcc 0
17 mol 214 unq 0 iso 0 dist 7.93054 5.055 7.66702 9.10678 7.23583 5.44533 numMergedOcc 0
18 mol 235 unq 0 iso 0 dist 9.03149 3.35321 9.24564 9.75061 8.80447 7.39085 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 4.54064 4.87707 8.51564 4.76698 3.60349 6.75725 numMergedOcc 0
20 mol 260 unq 1 iso 0 dist 5.33881 10.8164 7.49606 12.2712 7.28821 9.31888 numMergedOcc 0
