0 mol 1 unq 0 iso 0 dist 9.60615 11.9784 6.86701 9.06627 5.96833 5.11735 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.60361 12.1978 9.67164 6.58295 8.81608 10.515 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.60361 4.78012 5.99459 6.58295 8.81608 6.06176 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 7.54282 7.72477 9.12845 7.23962 9.06516 14.1424 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 7.54282 7.72477 9.12845 7.95969 9.96121 6.10146 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 9.91835 7.57533 9.64383 10.3737 4.44979 12.0058 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 9.91835 11.7846 7.54889 10.3737 4.44979 10.0962 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 9.91835 15.0999 7.78931 10.3737 4.44979 11.2452 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 9.29692 10.9992 5.10496 9.55475 6.61111 8.70415 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 9.29692 6.16706 5.92242 9.55475 6.61111 9.74284 numMergedOcc 0
10 mol 98 unq 5 iso 0 dist 9.29692 14.2079 5.2571 9.55475 6.61111 10.0962 numMergedOcc 0
11 mol 98 unq 6 iso 0 dist 9.29692 17.8653 8.7497 9.55475 6.61111 11.2452 numMergedOcc 0
12 mol 98 unq 7 iso 0 dist 7.6935 9.00814 9.64383 11.1769 4.44979 12.0058 numMergedOcc 0
13 mol 98 unq 8 iso 0 dist 7.6935 5.65902 7.54889 11.1769 4.44979 10.0962 numMergedOcc 0
14 mol 98 unq 9 iso 0 dist 7.6935 7.85074 7.78931 11.1769 4.44979 11.2452 numMergedOcc 0
15 mol 98 unq 10 iso 0 dist 8.71558 13.2064 5.10496 11.1769 6.61111 8.70415 numMergedOcc 0
16 mol 98 unq 11 iso 0 dist 8.71558 10.7799 5.92242 11.1769 6.61111 9.74284 numMergedOcc 0
17 mol 98 unq 12 iso 0 dist 8.71558 5.65902 5.2571 11.1769 6.61111 10.0962 numMergedOcc 0
18 mol 98 unq 13 iso 0 dist 8.71558 7.85074 8.7497 11.1769 6.61111 11.2452 numMergedOcc 0
19 mol 114 unq 0 iso 0 dist 6.68983 6.29844 5.7144 5.80684 5.51885 6.95201 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 9.9292 14.5985 8.95212 4.91188 6.13374 10.3457 numMergedOcc 0
21 mol 119 unq 1 iso 0 dist 9.9292 14.5985 8.95212 7.01214 9.08536 16.7975 numMergedOcc 0
22 mol 119 unq 2 iso 0 dist 9.9292 6.92096 6.99446 4.91188 6.13374 6.35763 numMergedOcc 0
23 mol 119 unq 3 iso 0 dist 9.9292 6.92096 6.99446 7.01214 9.08536 7.36192 numMergedOcc 0
24 mol 119 unq 4 iso 0 dist 9.9292 11.7253 7.64052 4.91188 6.13374 10.0197 numMergedOcc 0
25 mol 119 unq 5 iso 0 dist 9.9292 11.7253 7.64052 7.01214 9.08536 10.6679 numMergedOcc 0
26 mol 144 unq 0 iso 0 dist 7.83328 7.58432 7.64028 4.587 9.09684 10.4074 numMergedOcc 0
27 mol 167 unq 0 iso 0 dist 5.57495 5.89138 7.20495 6.77802 9.1326 6.36909 numMergedOcc 0
28 mol 167 unq 1 iso 0 dist 9.38297 10.292 6.84752 6.77802 7.30954 7.69326 numMergedOcc 0
29 mol 167 unq 2 iso 0 dist 9.38297 14.6636 7.86563 6.77802 7.30954 9.46955 numMergedOcc 0
30 mol 167 unq 3 iso 0 dist 9.38297 5.89138 7.02548 6.77802 7.30954 6.36909 numMergedOcc 0
31 mol 197 unq 0 iso 0 dist 6.89441 11.4807 9.10817 12.7975 9.27218 5.2908 numMergedOcc 0
32 mol 197 unq 1 iso 0 dist 6.89441 7.08995 6.86828 12.7975 9.27218 6.23998 numMergedOcc 0
33 mol 284 unq 0 iso 0 dist 7.21255 8.18513 9.19921 6.58652 9.69262 9.71439 numMergedOcc 0
34 mol 284 unq 1 iso 0 dist 7.21255 5.32637 6.41303 6.58652 9.69262 5.21666 numMergedOcc 0
35 mol 287 unq 0 iso 0 dist 7.74312 6.56751 7.45616 9.81184 8.59762 7.23534 numMergedOcc 0
36 mol 288 unq 0 iso 0 dist 7.74312 6.56751 7.45616 9.81184 8.59762 7.23534 numMergedOcc 0
37 mol 289 unq 0 iso 0 dist 7.74312 6.56751 7.45616 9.81184 8.59762 7.23534 numMergedOcc 0
38 mol 292 unq 0 iso 0 dist 7.18462 9.32514 9.46442 7.69733 5.84792 12.1551 numMergedOcc 0
39 mol 292 unq 1 iso 0 dist 6.66342 12.1831 9.9182 7.43702 9.08193 9.98079 numMergedOcc 0
40 mol 292 unq 2 iso 0 dist 6.66342 12.1831 9.9182 7.69733 8.73515 18.0293 numMergedOcc 0
41 mol 292 unq 3 iso 0 dist 6.66342 9.32514 7.30758 7.43702 9.08193 5.07048 numMergedOcc 0
42 mol 292 unq 4 iso 0 dist 6.66342 9.32514 7.30758 7.69733 8.73515 12.1551 numMergedOcc 0
43 mol 292 unq 5 iso 0 dist 6.66342 4.27448 9.10788 7.43702 9.08193 10.0311 numMergedOcc 0
44 mol 292 unq 6 iso 0 dist 6.66342 4.27448 9.10788 7.69733 8.73515 10.8709 numMergedOcc 0
