0 mol 10 unq 0 iso 0 dist 7.36963 5.08596 7.82875 9.27837 6.77807 6.94628 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 6.62508 10.4653 9.4148 6.95803 9.2146 8.89273 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 6.62508 5.51879 6.87842 6.95803 9.2146 8.10455 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 9.77719 12.3614 9.4148 4.3475 9.2146 8.89273 numMergedOcc 0
4 mol 28 unq 3 iso 0 dist 9.77719 9.5295 6.87842 4.3475 9.2146 8.10455 numMergedOcc 0
5 mol 53 unq 0 iso 0 dist 9.06787 8.04063 5.63499 4.50355 9.32314 5.65514 numMergedOcc 0
6 mol 67 unq 0 iso 0 dist 5.35145 6.70667 9.83555 5.88789 5.88409 8.72788 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 9.27894 6.39764 9.84288 10.358 7.71625 10.8497 numMergedOcc 0
8 mol 168 unq 0 iso 0 dist 8.65328 7.36888 8.18217 4.18108 7.0961 3.60864 numMergedOcc 0
9 mol 168 unq 1 iso 0 dist 8.65328 7.36888 8.18217 3.6038 8.26768 7.08284 numMergedOcc 0
10 mol 169 unq 0 iso 0 dist 5.87263 12.2667 7.06772 6.5732 7.65903 10.1931 numMergedOcc 0
11 mol 169 unq 1 iso 0 dist 5.87263 12.2667 7.06772 4.14139 5.97653 10.5136 numMergedOcc 0
12 mol 169 unq 2 iso 0 dist 5.87263 12.2667 7.06772 7.73206 7.75523 10.212 numMergedOcc 0
13 mol 198 unq 0 iso 0 dist 8.18482 7.58767 9.40433 8.29433 9.75417 10.3365 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 6.3407 4.69923 8.92597 12.1876 7.68686 13.8162 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 6.3407 11.9426 7.53734 12.1876 7.68686 6.82382 numMergedOcc 0
16 mol 205 unq 2 iso 0 dist 6.3407 16.0229 9.79826 12.1876 7.68686 9.27501 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 7.79613 13.7865 7.99441 13.8153 8.88902 5.63584 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 6.61768 8.13583 8.9221 7.98379 7.72861 10.1418 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 6.61768 8.13583 8.9221 4.58167 8.20376 7.63149 numMergedOcc 0
20 mol 266 unq 2 iso 0 dist 6.61768 4.80695 9.51145 7.98379 7.72861 10.3155 numMergedOcc 0
21 mol 266 unq 3 iso 0 dist 6.61768 4.80695 9.51145 4.58167 8.20376 4.39553 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 8.20902 4.00063 6.42951 9.69757 5.13533 9.21484 numMergedOcc 0
23 mol 277 unq 1 iso 0 dist 7.98589 11.2565 6.42951 5.00704 5.13533 9.21484 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 7.75982 5.76803 8.30375 3.72284 8.62266 9.37282 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 7.37164 5.87826 8.43856 7.52677 6.22311 9.67218 numMergedOcc 0
26 mol 287 unq 1 iso 0 dist 7.37164 6.18486 5.83857 7.52677 6.22311 5.1451 numMergedOcc 0
27 mol 287 unq 2 iso 0 dist 7.37164 9.62966 5.32839 7.52677 6.22311 5.15725 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 7.37164 5.87826 8.43856 7.52677 6.22311 9.67218 numMergedOcc 0
29 mol 288 unq 1 iso 0 dist 7.37164 6.18486 5.83857 7.52677 6.22311 5.1451 numMergedOcc 0
30 mol 288 unq 2 iso 0 dist 7.37164 9.62966 5.32839 7.52677 6.22311 5.15725 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 7.37164 5.87826 8.43856 7.52677 6.22311 9.67218 numMergedOcc 0
32 mol 289 unq 1 iso 0 dist 7.37164 6.18486 5.83857 7.52677 6.22311 5.1451 numMergedOcc 0
33 mol 289 unq 2 iso 0 dist 7.37164 9.62966 5.32839 7.52677 6.22311 5.15725 numMergedOcc 0
