0 mol 5 unq 0 iso 0 dist 9.22067 7.56866 5.30421 9.65891 8.34817 11.4791 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 8.49537 9.85529 11.966 7.69461 8.34817 16.6164 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 6.89752 9.21776 6.29252 9.11789 7.7927 12.9788 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 6.89752 9.21776 6.29252 8.94949 6.17378 12.289 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 6.89752 6.85843 5.553 9.11789 7.7927 12.6487 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 6.89752 6.85843 5.553 8.94949 6.17378 11.151 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 8.67342 8.60062 2.58673 7.74857 4.29937 5.37869 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 8.67342 8.60062 2.58673 10.4876 3.65628 4.05415 numMergedOcc 0
8 mol 85 unq 2 iso 0 dist 8.67342 8.60062 2.58673 18.2213 9.77774 9.97944 numMergedOcc 0
9 mol 85 unq 3 iso 0 dist 8.60062 8.67342 2.58673 7.74857 5.37869 4.29937 numMergedOcc 0
10 mol 85 unq 4 iso 0 dist 8.60062 8.67342 2.58673 10.4876 4.05415 3.65628 numMergedOcc 0
11 mol 85 unq 5 iso 0 dist 8.60062 8.67342 2.58673 18.2213 9.97944 9.77774 numMergedOcc 0
12 mol 85 unq 6 iso 0 dist 5.73739 5.16225 2.58673 9.36582 4.29937 5.37869 numMergedOcc 0
13 mol 85 unq 7 iso 0 dist 5.73739 5.16225 2.58673 8.8983 3.65628 4.05415 numMergedOcc 0
14 mol 85 unq 8 iso 0 dist 5.73739 5.16225 2.58673 11.1809 9.77774 9.97944 numMergedOcc 0
15 mol 85 unq 9 iso 0 dist 5.16225 5.73739 2.58673 9.36582 5.37869 4.29937 numMergedOcc 0
16 mol 85 unq 10 iso 0 dist 5.16225 5.73739 2.58673 8.8983 4.05415 3.65628 numMergedOcc 0
17 mol 85 unq 11 iso 0 dist 5.16225 5.73739 2.58673 11.1809 9.97944 9.77774 numMergedOcc 0
18 mol 93 unq 0 iso 0 dist 8.24402 7.14241 10.7776 4.85981 6.67678 8.28591 numMergedOcc 0
19 mol 93 unq 1 iso 0 dist 7.14241 8.24402 10.7776 4.85981 8.28591 6.67678 numMergedOcc 0
20 mol 93 unq 2 iso 0 dist 7.14241 8.24402 10.7776 4.03764 5.35008 10.4903 numMergedOcc 0
21 mol 93 unq 3 iso 0 dist 7.14241 8.24402 10.7776 14.2411 8.30921 17.0013 numMergedOcc 0
22 mol 147 unq 0 iso 0 dist 6.52283 7.97305 4.68125 4.13896 7.7464 10.735 numMergedOcc 0
23 mol 147 unq 1 iso 0 dist 6.52283 7.97305 4.68125 4.74732 5.12272 8.7121 numMergedOcc 0
24 mol 147 unq 2 iso 0 dist 7.97305 6.52283 4.68125 4.74732 8.7121 5.12272 numMergedOcc 0
25 mol 158 unq 0 iso 0 dist 9.98554 7.76952 17.1307 5.47558 9.44964 12.443 numMergedOcc 0
26 mol 176 unq 0 iso 0 dist 8.0255 9.84239 6.34877 6.79029 9.9109 12.532 numMergedOcc 0
27 mol 176 unq 1 iso 0 dist 8.0255 9.1728 3.47516 6.79029 9.9109 12.5252 numMergedOcc 0
28 mol 182 unq 0 iso 0 dist 7.52751 9.75791 9.53656 5.2973 8.07678 14.268 numMergedOcc 0
29 mol 193 unq 0 iso 0 dist 9.50113 9.73679 14.6395 7.03555 6.94187 15.206 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 4.93303 9.95859 13.0936 3.73699 7.88986 7.4185 numMergedOcc 0
31 mol 205 unq 1 iso 0 dist 9.95859 4.93303 13.0936 3.73699 7.4185 7.88986 numMergedOcc 0
32 mol 233 unq 0 iso 0 dist 7.97911 9.8976 6.61303 7.87864 8.4338 13.1938 numMergedOcc 0
33 mol 287 unq 0 iso 0 dist 7.82157 8.39976 13.001 10.5401 8.32982 17.3667 numMergedOcc 0
34 mol 288 unq 0 iso 0 dist 7.82157 8.39976 13.001 10.5401 8.32982 17.3667 numMergedOcc 0
35 mol 289 unq 0 iso 0 dist 7.82157 8.39976 13.001 10.5401 8.32982 17.3667 numMergedOcc 0
