0 mol 28 unq 0 iso 0 dist 8.79638 7.3517 7.08766 15.0661 10.8722 8.69709 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 6.42785 6.51048 7.08766 13.4921 10.8722 8.69709 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 5.75809 12.1819 7.08766 16.3025 10.8722 8.69709 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 8.99393 6.95897 3.77542 10.8303 3.57198 5.53419 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 7.32699 9.58381 9.05737 12.1974 7.06935 8.40186 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 6.45933 7.61744 9.05737 11.5249 7.06935 8.40186 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 7.60619 4.91617 4.15789 9.02674 4.37918 6.2576 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 7.60619 4.91617 4.15789 12.7962 9.08423 8.96069 numMergedOcc 0
8 mol 79 unq 2 iso 0 dist 7.60619 4.91617 4.15789 12.4348 6.29733 7.56495 numMergedOcc 0
9 mol 79 unq 3 iso 0 dist 7.60619 8.05938 4.808 12.3642 6.0298 5.79139 numMergedOcc 0
10 mol 79 unq 4 iso 0 dist 7.60619 8.05938 4.808 12.4348 6.29733 7.63923 numMergedOcc 0
11 mol 107 unq 0 iso 0 dist 9.4238 8.0395 8.19484 13.4299 8.49625 7.89505 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 7.382 7.67738 7.53342 10.9017 4.60864 8.47526 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 8.41675 4.86046 7.53342 9.99644 4.94367 7.84546 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 7.57472 9.45125 4.88514 15.5942 13.8739 9.59109 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 4.93944 4.49266 4.88514 7.66512 3.80087 4.92382 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 7.26295 3.64489 5.10542 9.819 3.7326 8.43182 numMergedOcc 0
17 mol 194 unq 1 iso 0 dist 7.31316 3.64489 4.68722 9.819 7.29209 8.43182 numMergedOcc 0
18 mol 194 unq 2 iso 0 dist 8.9865 13.481 4.68722 13.6378 7.29209 8.43182 numMergedOcc 0
19 mol 213 unq 0 iso 0 dist 8.64187 9.83742 9.71831 11.5004 6.78109 8.59946 numMergedOcc 0
20 mol 284 unq 0 iso 0 dist 6.61811 7.60413 5.6964 5.24993 3.57807 7.74874 numMergedOcc 0
21 mol 285 unq 0 iso 0 dist 8.38399 12.0007 5.88958 9.23037 8.78384 8.79261 numMergedOcc 0
22 mol 285 unq 1 iso 0 dist 8.38399 15.0759 7.78121 9.23037 8.78384 9.99125 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 7.29668 10.326 4.68668 10.0458 5.39801 9.25759 numMergedOcc 0
24 mol 287 unq 1 iso 0 dist 9.57637 11.8739 4.68668 19.0407 9.88575 8.58427 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 7.29668 10.326 4.68668 10.0458 5.39801 9.25759 numMergedOcc 0
26 mol 288 unq 1 iso 0 dist 9.57637 11.8739 4.68668 19.0407 9.88575 8.58427 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 7.29668 10.326 4.68668 10.0458 5.39801 9.25759 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 9.57637 11.8739 4.68668 19.0407 9.88575 8.58427 numMergedOcc 0
29 mol 292 unq 0 iso 0 dist 8.27039 3.77627 8.07775 6.68183 5.06937 5.91617 numMergedOcc 0
