0 mol 46 unq 0 iso 0 dist 7.23371 4.96903 5.53419 6.75911 3.77542 3.57198 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 7.32699 7.12927 9.42099 9.58381 9.05737 3.85506 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 6.45933 5.77634 9.42099 7.61744 9.05737 3.85506 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 7.60619 8.89371 8.84225 4.91617 4.15789 6.07693 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 7.60619 8.89371 8.84225 8.05938 4.808 10.8556 numMergedOcc 0
5 mol 79 unq 2 iso 0 dist 7.60619 9.72544 6.72546 4.91617 4.15789 5.25584 numMergedOcc 0
6 mol 79 unq 3 iso 0 dist 7.60619 9.72544 6.72546 8.05938 4.808 5.79629 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 5.85622 6.77167 9.90672 8.09756 6.5816 9.43399 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 5.85622 10.5027 7.55367 8.09756 6.5816 3.61204 numMergedOcc 0
9 mol 101 unq 0 iso 0 dist 6.54699 9.70552 9.44645 4.80201 8.19144 13.0976 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 8.69371 12.0392 9.72371 9.05868 4.91212 8.83426 numMergedOcc 0
11 mol 111 unq 1 iso 0 dist 8.69371 12.0392 9.72371 9.16288 9.34782 16.815 numMergedOcc 0
12 mol 123 unq 0 iso 0 dist 8.0933 11.011 7.30244 9.43573 5.56127 7.88813 numMergedOcc 0
13 mol 123 unq 1 iso 0 dist 8.0933 11.011 7.30244 9.39224 8.03692 4.10526 numMergedOcc 0
14 mol 123 unq 2 iso 0 dist 8.0933 11.011 7.30244 9.35902 5.36214 12.6384 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 7.382 10.6596 7.84546 7.67738 7.53342 4.94367 numMergedOcc 0
16 mol 131 unq 1 iso 0 dist 8.41675 7.73074 8.47526 4.86046 7.53342 4.60864 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 7.57472 6.69013 4.92382 9.45125 4.88514 3.80087 numMergedOcc 0
18 mol 141 unq 1 iso 0 dist 4.93944 14.0112 9.59109 4.49266 4.88514 13.8739 numMergedOcc 0
19 mol 141 unq 2 iso 0 dist 7.43045 10.537 9.62774 5.76787 5.60448 5.16197 numMergedOcc 0
20 mol 193 unq 0 iso 0 dist 6.10013 12.9817 9.9042 4.40965 8.30069 11.1328 numMergedOcc 0
21 mol 193 unq 1 iso 0 dist 6.10013 12.9817 9.9042 6.04442 8.83551 11.6691 numMergedOcc 0
22 mol 193 unq 2 iso 0 dist 6.10013 10.7013 6.21262 4.40965 8.30069 11.4882 numMergedOcc 0
23 mol 193 unq 3 iso 0 dist 6.10013 10.7013 6.21262 6.04442 8.83551 9.7301 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 4.76819 10.7624 9.89191 5.87373 9.64861 16.2332 numMergedOcc 0
25 mol 253 unq 0 iso 0 dist 8.44543 8.89634 9.73723 5.37143 8.66299 5.68255 numMergedOcc 0
26 mol 256 unq 0 iso 0 dist 8.3597 5.9669 4.36333 4.99652 5.58222 5.59732 numMergedOcc 0
27 mol 256 unq 1 iso 0 dist 8.3597 7.26382 6.96483 4.99652 5.58222 3.96807 numMergedOcc 0
28 mol 260 unq 0 iso 0 dist 4.20369 6.93843 6.12343 5.76999 7.04263 3.60349 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 7.29668 7.65493 8.58427 10.326 4.68668 9.88575 numMergedOcc 0
30 mol 287 unq 1 iso 0 dist 9.57637 13.8928 9.25759 11.8739 4.68668 5.39801 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 7.29668 7.65493 8.58427 10.326 4.68668 9.88575 numMergedOcc 0
32 mol 288 unq 1 iso 0 dist 9.57637 13.8928 9.25759 11.8739 4.68668 5.39801 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 7.29668 7.65493 8.58427 10.326 4.68668 9.88575 numMergedOcc 0
34 mol 289 unq 1 iso 0 dist 9.57637 13.8928 9.25759 11.8739 4.68668 5.39801 numMergedOcc 0
35 mol 291 unq 0 iso 0 dist 7.02207 4.23643 5.40381 9.16979 8.95881 6.58485 numMergedOcc 0
