0 mol 1 unq 0 iso 0 dist 7.94669 4.93091 6.69458 7.81034 4.95929 9.21329 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 7.94669 4.93091 6.69458 9.19497 5.11065 8.54277 numMergedOcc 0
2 mol 5 unq 0 iso 0 dist 6.96805 12.0161 7.4332 15.0172 10.3223 9.22067 numMergedOcc 0
3 mol 5 unq 1 iso 0 dist 6.96805 12.0161 7.4332 12.2642 7.05332 8.49537 numMergedOcc 0
4 mol 8 unq 0 iso 0 dist 9.59644 6.27069 6.52138 12.4886 4.77791 9.42634 numMergedOcc 0
5 mol 17 unq 0 iso 0 dist 9.65377 5.09467 8.55161 10.556 5.67737 6.64199 numMergedOcc 0
6 mol 17 unq 1 iso 0 dist 9.65377 5.09467 8.55161 6.3896 8.04504 8.90155 numMergedOcc 0
7 mol 33 unq 0 iso 0 dist 8.41842 3.93232 6.53195 5.73206 4.77227 5.98867 numMergedOcc 0
8 mol 41 unq 0 iso 0 dist 8.45063 3.84207 7.7727 6.51139 14.3405 7.16598 numMergedOcc 0
9 mol 41 unq 1 iso 0 dist 8.45063 3.84207 7.7727 6.91278 14.4796 9.14632 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 8.09675 11.1342 9.85386 14.313 7.87577 7.9575 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 8.09675 11.1342 9.85386 14.8252 10.5032 5.88827 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 9.02753 10.0544 9.85386 14.0045 7.87577 7.9575 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 9.02753 10.0544 9.85386 14.7231 10.5032 5.88827 numMergedOcc 0
14 mol 88 unq 0 iso 0 dist 5.74637 4.56066 5.6516 10.5413 7.93366 8.73208 numMergedOcc 0
15 mol 88 unq 1 iso 0 dist 5.74637 4.56066 5.6516 8.87089 6.09578 5.60174 numMergedOcc 0
16 mol 165 unq 0 iso 0 dist 9.8446 3.36546 9.98689 9.63241 5.54803 9.54118 numMergedOcc 0
17 mol 185 unq 0 iso 0 dist 8.2968 5.80135 9.61525 8.85182 4.94279 9.44685 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 5.31333 12.2056 8.99777 6.36789 3.82682 8.92335 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 5.83898 3.85596 5.97886 11.2413 10.6036 8.15495 numMergedOcc 0
20 mol 207 unq 0 iso 0 dist 8.27274 8.59463 5.77532 12.2035 5.55728 9.31941 numMergedOcc 0
21 mol 225 unq 0 iso 0 dist 7.47852 11.337 7.78392 10.6641 4.37243 6.35772 numMergedOcc 0
22 mol 225 unq 1 iso 0 dist 6.22332 7.99586 7.78392 6.97662 4.37243 6.35772 numMergedOcc 0
23 mol 260 unq 0 iso 0 dist 8.55211 9.04755 6.90472 11.7165 11.0725 4.76164 numMergedOcc 0
24 mol 286 unq 0 iso 0 dist 8.97304 6.60143 8.08382 11.6047 5.74706 6.89373 numMergedOcc 0
