0 mol 28 unq 0 iso 0 dist 7.82759 3.97968 5.42412 12.7911 8.53424 9.64948 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 8.99393 8.16858 7.44805 6.95897 3.77542 6.81182 numMergedOcc 0
2 mol 46 unq 1 iso 0 dist 8.99393 8.16858 7.44805 12.41 9.97314 16.1056 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 7.32699 13.3375 7.90416 9.58381 9.05737 9.165 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 6.45933 8.95658 7.90416 7.61744 9.05737 9.165 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 9.18651 13.3969 6.42443 7.17611 9.13228 12.6017 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 4.45433 5.42987 7.50229 5.80317 8.61143 7.86077 numMergedOcc 0
7 mol 78 unq 1 iso 0 dist 4.45433 5.42987 7.50229 6.75646 8.79979 7.92963 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 7.60619 5.46484 6.64921 4.91617 4.15789 4.15002 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 7.60619 5.46484 6.64921 8.05938 4.808 9.36535 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 6.2753 6.92136 8.00314 4.24482 4.18248 4.21164 numMergedOcc 0
11 mol 101 unq 0 iso 0 dist 6.54699 8.01024 7.33426 4.80201 8.19144 9.71802 numMergedOcc 0
12 mol 101 unq 1 iso 0 dist 6.54699 8.67739 8.17175 4.80201 8.19144 4.97717 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 8.41675 5.38996 7.34765 4.86046 7.53342 3.82317 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 7.57472 3.44158 5.28634 9.45125 4.88514 6.1672 numMergedOcc 0
15 mol 147 unq 0 iso 0 dist 8.92048 6.81329 6.52283 6.68581 3.82583 6.18105 numMergedOcc 0
16 mol 147 unq 1 iso 0 dist 8.92048 6.81329 6.52283 4.60169 5.19116 6.86255 numMergedOcc 0
17 mol 147 unq 2 iso 0 dist 8.84926 12.0708 7.97305 13.164 8.25768 6.18105 numMergedOcc 0
18 mol 147 unq 3 iso 0 dist 8.84926 12.0708 7.97305 11.3679 8.71702 6.86255 numMergedOcc 0
19 mol 158 unq 0 iso 0 dist 5.78626 13.1628 9.98554 7.39668 7.97228 7.59334 numMergedOcc 0
20 mol 158 unq 1 iso 0 dist 9.8417 8.64986 9.98554 4.54069 7.97228 7.59334 numMergedOcc 0
21 mol 176 unq 0 iso 0 dist 9.95907 10.5221 9.60931 12.7022 8.65645 12.3453 numMergedOcc 0
22 mol 176 unq 1 iso 0 dist 9.95907 10.5221 9.60931 6.27598 6.85902 11.2094 numMergedOcc 0
23 mol 256 unq 0 iso 0 dist 8.3597 6.06375 9.49634 4.99652 5.58222 5.16057 numMergedOcc 0
24 mol 268 unq 0 iso 0 dist 5.01283 6.12497 5.49906 7.56592 9.52476 6.07203 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 9.57637 10.154 5.55176 11.8739 4.68668 5.13698 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 9.57637 10.154 5.55176 11.8739 4.68668 5.13698 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 9.57637 10.154 5.55176 11.8739 4.68668 5.13698 numMergedOcc 0
