0 mol 9 unq 0 iso 0 dist 6.91948 6.36275 6.51397 8.67209 9.47063 4.27486 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 7.16036 11.0716 9.96265 9.5746 9.6782 12.8967 numMergedOcc 0
2 mol 44 unq 1 iso 0 dist 7.16036 7.93542 9.70459 9.5746 9.6782 13.4256 numMergedOcc 0
3 mol 44 unq 2 iso 0 dist 7.16036 4.61354 7.78905 9.5746 9.6782 9.64095 numMergedOcc 0
4 mol 44 unq 3 iso 0 dist 7.16036 6.03595 9.44909 9.5746 9.6782 4.83412 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 7.51978 8.88887 5.97635 13.9555 7.21717 11.5332 numMergedOcc 0
6 mol 65 unq 0 iso 0 dist 9.9997 4.98203 8.76461 8.24043 6.72639 6.59475 numMergedOcc 0
7 mol 65 unq 1 iso 0 dist 9.9997 4.98203 8.76461 11.819 9.34791 11.8419 numMergedOcc 0
8 mol 91 unq 0 iso 0 dist 7.28711 12.1555 9.3931 9.98867 5.73743 5.09984 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 8.91837 6.05002 8.35636 10.5258 7.02927 9.74143 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 8.91837 6.05002 8.35636 5.61989 6.60933 9.51381 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 8.59784 9.25954 5.63005 8.66162 6.52773 4.01593 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 8.59784 9.25954 5.63005 6.71925 9.23858 13.1254 numMergedOcc 0
13 mol 122 unq 0 iso 0 dist 5.09114 12.0108 9.40018 10.5529 9.23819 4.81033 numMergedOcc 0
14 mol 122 unq 1 iso 0 dist 5.09114 12.0108 9.40018 9.32745 8.88537 9.33734 numMergedOcc 0
15 mol 122 unq 2 iso 0 dist 5.09114 9.14438 6.78949 10.5529 9.23819 6.93382 numMergedOcc 0
16 mol 122 unq 3 iso 0 dist 5.09114 9.14438 6.78949 9.32745 8.88537 4.21285 numMergedOcc 0
17 mol 143 unq 0 iso 0 dist 8.72463 10.0479 8.30654 16.1752 7.78652 11.6678 numMergedOcc 0
18 mol 143 unq 1 iso 0 dist 8.72463 10.0479 8.30654 17.1567 8.91301 11.347 numMergedOcc 0
19 mol 155 unq 0 iso 0 dist 8.14907 4.65448 4.44292 7.76857 6.53347 5.45915 numMergedOcc 0
20 mol 159 unq 0 iso 0 dist 7.78695 6.08143 7.97007 9.00075 9.17787 4.49716 numMergedOcc 0
21 mol 159 unq 1 iso 0 dist 7.78695 6.08143 7.97007 11.6088 8.4858 6.69743 numMergedOcc 0
22 mol 176 unq 0 iso 0 dist 4.96326 12.148 7.30954 5.19351 7.33273 13.8868 numMergedOcc 0
23 mol 176 unq 1 iso 0 dist 9.09976 12.0324 7.30954 7.10221 7.33273 13.8868 numMergedOcc 0
24 mol 176 unq 2 iso 0 dist 9.73567 10.5247 7.30954 10.2245 7.33273 13.8868 numMergedOcc 0
25 mol 192 unq 0 iso 0 dist 9.05666 11.524 9.90531 5.76622 8.77999 11.0516 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 7.36642 7.49505 5.96555 10.098 6.03688 3.99238 numMergedOcc 0
27 mol 218 unq 0 iso 0 dist 5.52981 7.26513 8.5119 5.3192 6.1951 4.87337 numMergedOcc 0
28 mol 249 unq 0 iso 0 dist 6.42827 7.26569 6.37672 5.74889 5.48118 4.20164 numMergedOcc 0
29 mol 249 unq 1 iso 0 dist 6.42827 6.09915 8.94023 5.74889 5.48118 5.93404 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 6.49599 11.5386 8.06771 10.451 7.98231 5.61261 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 9.47382 12.8939 9.54857 10.451 7.08526 8.74892 numMergedOcc 0
32 mol 265 unq 0 iso 0 dist 5.81421 4.86861 7.04833 9.59458 6.71375 10.7881 numMergedOcc 0
33 mol 292 unq 0 iso 0 dist 6.8133 9.02523 9.6898 7.95758 7.83341 7.31058 numMergedOcc 0
34 mol 292 unq 1 iso 0 dist 6.8133 9.57206 5.75596 7.95758 7.83341 8.07013 numMergedOcc 0
35 mol 292 unq 2 iso 0 dist 5.69465 7.13877 9.20416 11.7781 7.07965 11.6878 numMergedOcc 0
36 mol 292 unq 3 iso 0 dist 5.69465 10.9754 7.53641 11.7781 7.07965 8.46139 numMergedOcc 0
