0 mol 88 unq 0 iso 0 dist 6.41105 6.65892 9.27633 9.0321 6.64721 6.1847 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 4.85152 4.65469 7.36335 7.36397 6.12826 5.32369 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 4.85152 4.65469 7.36335 6.58062 5.02124 7.03417 numMergedOcc 0
3 mol 131 unq 0 iso 0 dist 7.8034 5.0614 6.94015 6.66749 5.53162 9.24546 numMergedOcc 0
4 mol 141 unq 0 iso 0 dist 8.51265 16.1482 9.80185 18.4706 10.3678 6.50336 numMergedOcc 0
5 mol 141 unq 1 iso 0 dist 9.98097 5.76787 7.43587 15.0435 8.51234 9.68074 numMergedOcc 0
6 mol 142 unq 0 iso 0 dist 5.1557 6.61855 5.79144 9.14076 5.81429 5.69323 numMergedOcc 0
7 mol 142 unq 1 iso 0 dist 9.5355 5.19808 5.79144 9.15112 5.81429 5.69323 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 4.95086 5.14383 8.62135 11.8021 11.92 9.23589 numMergedOcc 0
9 mol 147 unq 1 iso 0 dist 8.39524 14.0428 8.62135 20.0549 11.92 9.23589 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 7.21636 4.52353 8.78397 11.1638 9.92336 9.70169 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 6.67598 15.4738 9.15935 15.4895 9.73855 8.22067 numMergedOcc 0
12 mol 156 unq 1 iso 0 dist 6.67598 15.4738 9.15935 11.809 7.36802 8.90564 numMergedOcc 0
13 mol 156 unq 2 iso 0 dist 8.34508 7.92829 9.15935 10.142 9.73855 8.22067 numMergedOcc 0
14 mol 156 unq 3 iso 0 dist 8.34508 7.92829 9.15935 12.0073 7.36802 8.90564 numMergedOcc 0
15 mol 156 unq 4 iso 0 dist 8.98636 15.4738 8.24388 15.4895 10.9497 8.22067 numMergedOcc 0
16 mol 156 unq 5 iso 0 dist 8.98636 15.4738 8.24388 11.809 7.03382 8.90564 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 8.03259 8.21964 6.19329 5.54873 4.97806 7.61421 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 8.21112 6.20494 9.88692 11.639 6.96766 9.81165 numMergedOcc 0
19 mol 205 unq 1 iso 0 dist 8.21112 13.2338 9.38368 11.639 6.96766 7.8423 numMergedOcc 0
20 mol 205 unq 2 iso 0 dist 7.06533 5.10421 9.88692 10.4842 6.96766 9.81165 numMergedOcc 0
21 mol 205 unq 3 iso 0 dist 7.06533 9.56612 9.38368 10.4842 6.96766 7.8423 numMergedOcc 0
22 mol 205 unq 4 iso 0 dist 5.94835 14.6973 9.88692 12.6443 6.96766 9.81165 numMergedOcc 0
23 mol 205 unq 5 iso 0 dist 5.94835 13.8741 9.38368 12.6443 6.96766 7.8423 numMergedOcc 0
24 mol 205 unq 6 iso 0 dist 6.76947 13.8741 9.29298 12.6443 9.95664 7.8423 numMergedOcc 0
25 mol 234 unq 0 iso 0 dist 8.8978 8.41106 8.33309 12.7765 13.0843 5.69634 numMergedOcc 0
26 mol 234 unq 1 iso 0 dist 8.8978 8.41106 8.33309 14.1989 11.9483 7.91374 numMergedOcc 0
27 mol 234 unq 2 iso 0 dist 8.8978 8.41106 8.33309 10.8275 11.0142 7.35086 numMergedOcc 0
28 mol 234 unq 3 iso 0 dist 8.8978 8.41106 8.33309 12.8613 6.7061 6.81195 numMergedOcc 0
29 mol 259 unq 0 iso 0 dist 9.2772 5.5217 8.75224 10.4321 11.3446 5.23503 numMergedOcc 0
30 mol 259 unq 1 iso 0 dist 9.2772 5.5217 8.75224 13.6233 11.1732 9.61028 numMergedOcc 0
31 mol 265 unq 0 iso 0 dist 8.19772 11.5884 6.80043 15.2044 10.3184 8.03604 numMergedOcc 0
32 mol 265 unq 1 iso 0 dist 8.19772 11.5884 6.80043 12.5313 4.98228 5.94614 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 9.42812 3.60894 9.48076 8.62043 8.46112 8.13595 numMergedOcc 0
