0 mol 24 unq 0 iso 0 dist 9.7649 16.5248 7.85986 10.5243 8.25818 9.63925 14.6211 11.1055 8.7263 5.11382 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.5268 13.7733 7.85986 10.2093 8.25818 9.63925 13.9169 11.1055 8.7263 5.11382 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 6.35997 4.38622 7.37118 6.66835 4.75881 8.00615 11.054 5.29955 10.2677 7.68019 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 6.77802 4.31769 8.40186 3.42062 9.05737 7.06935 8.38139 5.7037 10.1237 9.07283 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 9.07283 7.16993 9.42099 5.7037 9.05737 3.85506 8.38139 3.42062 8.16033 6.77802 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 6.56288 14.0998 9.13593 7.14242 6.67137 13.6534 7.52742 3.81285 12.1571 8.15861 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 5.97559 14.0998 8.25144 7.14242 7.04244 13.6534 7.52742 6.17121 12.1571 8.15861 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 8.15861 4.32784 8.04853 3.81285 6.67137 5.22259 7.52742 7.14242 10.6441 6.56288 numMergedOcc 0
8 mol 85 unq 3 iso 0 dist 8.15861 4.32784 8.04853 6.17121 7.04244 7.66499 7.52742 7.14242 10.6441 5.97559 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 8.92653 6.87756 5.56839 8.70619 5.20429 5.01255 9.00874 3.27874 7.24843 8.23294 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 8.92653 6.87756 5.56839 3.89959 8.71366 9.11323 9.00874 3.27874 7.24843 8.2702 numMergedOcc 0
11 mol 93 unq 2 iso 0 dist 8.92653 5.82092 7.83506 8.70619 5.20429 8.98901 9.00874 3.27874 7.63783 8.23294 numMergedOcc 0
12 mol 93 unq 3 iso 0 dist 8.92653 5.82092 7.83506 3.89959 8.71366 8.52329 9.00874 3.27874 7.63783 8.2702 numMergedOcc 0
13 mol 111 unq 0 iso 0 dist 6.33923 12.6461 9.72371 3.83194 4.91212 8.83426 5.68841 7.42165 16.5492 8.51084 numMergedOcc 0
14 mol 111 unq 1 iso 0 dist 6.33923 12.6461 9.72371 5.56913 9.34782 16.815 5.68841 7.42165 16.5492 5.53271 numMergedOcc 0
15 mol 281 unq 0 iso 0 dist 9.05453 14.815 6.18742 16.2801 7.90368 3.78169 9.18565 3.86368 6.67593 7.43535 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 8.4625 13.0927 9.25759 11.4589 4.68668 5.39801 18.1525 9.84883 13.2024 9.14217 numMergedOcc 0
17 mol 287 unq 1 iso 0 dist 9.14217 6.88096 8.58427 9.84883 4.68668 9.88575 18.1525 11.4589 16.4834 8.4625 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 8.4625 13.0927 9.25759 11.4589 4.68668 5.39801 18.1525 9.84883 13.2024 9.14217 numMergedOcc 0
19 mol 288 unq 1 iso 0 dist 9.14217 6.88096 8.58427 9.84883 4.68668 9.88575 18.1525 11.4589 16.4834 8.4625 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 8.4625 13.0927 9.25759 11.4589 4.68668 5.39801 18.1525 9.84883 13.2024 9.14217 numMergedOcc 0
21 mol 289 unq 1 iso 0 dist 9.14217 6.88096 8.58427 9.84883 4.68668 9.88575 18.1525 11.4589 16.4834 8.4625 numMergedOcc 0
