0 mol 24 unq 0 iso 0 dist 9.67696 11.9066 9.69752 11.3578 4.32034 6.60423 10.7295 10.8435 4.47891 7.95042 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 9.2958 8.88157 9.75201 7.63534 6.45686 7.27693 10.4541 7.46095 6.48293 9.85905 numMergedOcc 0
2 mol 76 unq 1 iso 0 dist 8.23534 7.28582 6.66954 7.63534 4.3931 4.79949 10.4541 13.8179 11.0792 9.85905 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 6.34031 13.478 9.5669 13.8338 9.75737 7.12017 20.2662 17.2742 13.4027 7.82475 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 6.34031 13.478 9.5669 13.8338 9.75737 7.12017 17.5904 14.2997 12.068 5.35782 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 8.82036 8.69165 6.76575 13.3377 7.20706 8.67766 15.0211 13.7062 9.03468 9.77497 numMergedOcc 0
6 mol 109 unq 1 iso 0 dist 8.82036 8.69165 6.76575 13.6905 5.35728 8.0831 19.6288 14.0071 11.0597 9.89083 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 8.9967 5.82527 5.56627 12.1672 7.7567 8.86329 6.93267 10.0568 5.30999 9.27976 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 8.70622 11.1891 5.60528 13.9833 6.77832 7.35824 13.8248 10.5288 5.68406 9.63417 numMergedOcc 0
9 mol 175 unq 1 iso 0 dist 8.70622 5.28649 5.5995 13.9833 6.77832 9.17364 13.8248 10.5288 9.31641 9.63417 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 7.77211 7.74227 7.02575 17.566 14.4429 9.83476 13.064 12.6585 6.38897 7.2793 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 7.77211 7.74227 7.02575 17.566 14.4429 9.83476 14.5314 15.5879 8.93258 9.51091 numMergedOcc 0
12 mol 186 unq 2 iso 0 dist 7.77211 7.74227 7.02575 17.566 14.4429 9.83476 18.2399 15.7057 11.924 7.85184 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 9.639 7.32929 5.91727 6.73266 5.86489 6.85441 13.3588 9.48625 9.54203 7.9133 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 8.00354 9.53753 8.20162 13.1899 7.17211 6.6561 15.3114 11.432 6.35462 6.50998 numMergedOcc 0
15 mol 225 unq 1 iso 0 dist 8.00354 9.53753 8.20162 13.1899 7.17211 6.6561 14.093 13.1625 5.94765 9.09424 numMergedOcc 0
16 mol 225 unq 2 iso 0 dist 8.00354 9.53753 8.20162 13.1899 7.17211 6.6561 14.4081 10.351 11.2847 8.14831 numMergedOcc 0
17 mol 252 unq 0 iso 0 dist 8.35637 9.34602 7.39391 12.8024 6.35641 6.86945 12.3685 8.09509 4.34126 7.15764 numMergedOcc 0
18 mol 264 unq 0 iso 0 dist 8.68638 5.50333 7.21655 10.5026 6.26382 6.04162 10.1533 11.9497 5.82131 9.19754 numMergedOcc 0
19 mol 264 unq 1 iso 0 dist 8.68638 5.50333 7.21655 10.25 5.24812 6.14323 10.1533 11.9497 5.82131 8.29262 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 9.7625 7.05559 7.85414 11.1337 6.28695 6.57903 15.23 9.26157 14.6871 9.57499 numMergedOcc 0
