0 mol 20 unq 0 iso 0 dist 4.90613 5.87364 4.539 4.14436 6.87419 4.74809 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 4.90613 5.87364 4.539 9.3714 10.2345 5.86181 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 4.90613 6.87419 4.14436 4.539 5.87364 4.74809 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 4.90613 6.87419 4.14436 13.6444 11.5403 7.43882 numMergedOcc 0
4 mol 20 unq 4 iso 0 dist 4.90613 6.87419 4.14436 9.41046 10.385 7.31198 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 9.97806 8.12171 9.61955 7.1011 15.2725 8.00171 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 9.97806 8.12171 9.61955 11.6096 13.0535 5.95834 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 9.97806 8.12171 9.61955 10.8208 13.5678 4.2121 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 9.97806 8.12171 9.61955 13.3998 14.9999 6.72323 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 6.32779 9.67696 7.1011 4.89927 8.12171 8.00171 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 6.32779 8.12171 4.89927 7.1011 9.67696 8.00171 numMergedOcc 0
11 mol 24 unq 6 iso 0 dist 6.32779 8.12171 4.89927 11.6096 10.3017 5.95834 numMergedOcc 0
12 mol 24 unq 7 iso 0 dist 6.32779 8.12171 4.89927 10.8208 9.05162 4.2121 numMergedOcc 0
13 mol 24 unq 8 iso 0 dist 6.32779 8.12171 4.89927 13.3998 9.77113 6.72323 numMergedOcc 0
14 mol 54 unq 0 iso 0 dist 5.76314 6.54052 7.21561 11.754 13.3 9.17082 numMergedOcc 0
15 mol 55 unq 0 iso 0 dist 5.12277 9.3341 6.96815 14.1948 13.8817 9.93096 numMergedOcc 0
16 mol 65 unq 0 iso 0 dist 8.59587 8.9161 12.5052 10.5461 15.2183 5.94206 numMergedOcc 0
17 mol 85 unq 0 iso 0 dist 7.52742 5.99046 8.25498 4.32784 10.6441 9.66222 numMergedOcc 0
18 mol 91 unq 0 iso 0 dist 8.42914 7.42828 5.75219 9.18905 4.86532 8.66165 numMergedOcc 0
19 mol 91 unq 1 iso 0 dist 8.42914 4.86532 9.18905 5.75219 7.42828 8.66165 numMergedOcc 0
20 mol 91 unq 2 iso 0 dist 8.17327 5.98441 5.75219 8.00102 4.86532 8.66165 numMergedOcc 0
21 mol 91 unq 3 iso 0 dist 8.17327 4.86532 8.00102 5.75219 5.98441 8.66165 numMergedOcc 0
22 mol 91 unq 4 iso 0 dist 9.52936 5.45873 5.75219 11.1564 4.86532 8.66165 numMergedOcc 0
23 mol 91 unq 5 iso 0 dist 9.52936 4.86532 11.1564 5.75219 5.45873 8.66165 numMergedOcc 0
24 mol 93 unq 0 iso 0 dist 9.00874 7.24843 6.87756 4.39585 12.3507 8.74378 numMergedOcc 0
25 mol 93 unq 1 iso 0 dist 9.00874 7.63783 5.82092 4.39585 12.3507 8.89417 numMergedOcc 0
26 mol 93 unq 2 iso 0 dist 9.00874 7.63783 5.82092 12.2294 15.7026 9.95255 numMergedOcc 0
27 mol 125 unq 0 iso 0 dist 7.0188 5.05869 11.2575 4.18419 10.4714 6.11502 numMergedOcc 0
28 mol 125 unq 1 iso 0 dist 7.0188 5.05869 11.2575 7.15048 13.2906 6.33431 numMergedOcc 0
29 mol 196 unq 0 iso 0 dist 9.67795 6.23981 11.3347 7.68725 9.42877 7.21349 numMergedOcc 0
30 mol 196 unq 1 iso 0 dist 9.67795 6.23981 11.3347 10.0025 18.6105 9.62455 numMergedOcc 0
31 mol 196 unq 2 iso 0 dist 9.67795 9.42877 7.68725 11.3347 6.23981 7.21349 numMergedOcc 0
32 mol 247 unq 0 iso 0 dist 6.52457 8.46644 4.46 7.56352 5.18532 8.45756 numMergedOcc 0
33 mol 247 unq 1 iso 0 dist 6.52457 5.18532 7.56352 4.46 8.46644 8.45756 numMergedOcc 0
34 mol 280 unq 0 iso 0 dist 9.69573 9.33975 13.1787 13.1036 16.3425 6.73712 numMergedOcc 0
35 mol 280 unq 1 iso 0 dist 9.69573 9.33975 13.1787 9.27897 17.911 9.35704 numMergedOcc 0
36 mol 280 unq 2 iso 0 dist 6.42515 9.33975 6.58462 13.1036 10.7191 6.73712 numMergedOcc 0
37 mol 280 unq 3 iso 0 dist 6.42515 9.33975 6.58462 9.27897 12.3922 9.35704 numMergedOcc 0
38 mol 280 unq 4 iso 0 dist 9.8581 7.18775 6.58462 10.9171 10.7191 6.73712 numMergedOcc 0
39 mol 280 unq 5 iso 0 dist 9.8581 7.18775 6.58462 4.26671 12.3922 9.35704 numMergedOcc 0
