0 mol 46 unq 0 iso 0 dist 5.81662 3.8412 3.77542 10.1202 6.75911 7.23371 8.79504 3.57198 5.53419 4.96903 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 6.77802 3.42062 9.05737 8.06519 9.58381 7.32699 8.16033 3.85506 9.42099 7.12927 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 6.77802 3.42062 9.05737 7.54027 7.61744 6.45933 8.16033 3.85506 9.42099 5.77634 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 6.29267 6.02092 4.15789 5.09725 4.91617 7.60619 10.2613 6.07693 8.84225 8.89371 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 6.29267 6.02092 4.15789 5.09725 4.91617 7.60619 11.3221 5.25584 6.72546 9.72544 numMergedOcc 0
5 mol 111 unq 0 iso 0 dist 8.51084 7.42165 4.91212 11.9145 9.05868 8.69371 16.5492 8.83426 9.72371 12.0392 numMergedOcc 0
6 mol 111 unq 1 iso 0 dist 5.53271 7.42165 9.34782 11.9145 9.16288 8.69371 16.5492 16.815 9.72371 12.0392 numMergedOcc 0
7 mol 123 unq 0 iso 0 dist 9.72421 11.8396 8.03692 16.0899 9.39224 8.0933 11.2105 4.10526 7.30244 11.011 numMergedOcc 0
8 mol 123 unq 1 iso 0 dist 8.09682 3.61945 5.56127 11.2204 9.43573 8.0933 7.36361 7.88813 7.30244 11.011 numMergedOcc 0
9 mol 123 unq 2 iso 0 dist 8.35926 3.61945 8.03692 11.2204 9.39224 8.0933 7.36361 4.10526 7.30244 11.011 numMergedOcc 0
10 mol 123 unq 3 iso 0 dist 7.41568 3.61945 5.36214 11.2204 9.35902 8.0933 7.36361 12.6384 7.30244 11.011 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 8.14978 9.809 4.88514 16.6245 9.45125 7.57472 10.6158 3.80087 4.92382 6.69013 numMergedOcc 0
12 mol 260 unq 0 iso 0 dist 9.11501 9.99682 7.04263 11.0323 5.76999 4.20369 9.64217 3.60349 6.12343 6.93843 numMergedOcc 0
13 mol 287 unq 0 iso 0 dist 8.4625 11.4589 4.68668 18.4017 10.326 7.29668 16.4834 9.88575 8.58427 7.65493 numMergedOcc 0
14 mol 287 unq 1 iso 0 dist 9.14217 9.84883 4.68668 19.0825 11.8739 9.57637 13.2024 5.39801 9.25759 13.8928 numMergedOcc 0
15 mol 288 unq 0 iso 0 dist 8.4625 11.4589 4.68668 18.4017 10.326 7.29668 16.4834 9.88575 8.58427 7.65493 numMergedOcc 0
16 mol 288 unq 1 iso 0 dist 9.14217 9.84883 4.68668 19.0825 11.8739 9.57637 13.2024 5.39801 9.25759 13.8928 numMergedOcc 0
17 mol 289 unq 0 iso 0 dist 8.4625 11.4589 4.68668 18.4017 10.326 7.29668 16.4834 9.88575 8.58427 7.65493 numMergedOcc 0
18 mol 289 unq 1 iso 0 dist 9.14217 9.84883 4.68668 19.0825 11.8739 9.57637 13.2024 5.39801 9.25759 13.8928 numMergedOcc 0
