0 mol 26 unq 0 iso 0 dist 9.15677 14.1383 8.44506 12.9043 10.9837 9.5053 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.61029 9.77186 8.44506 6.32127 10.9837 9.5053 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.16036 9.32021 7.52117 9.52676 4.55437 7.03307 numMergedOcc 0
3 mol 44 unq 1 iso 0 dist 7.16036 9.32021 7.52117 12.5937 6.16231 7.25707 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.28737 6.38454 4.79949 6.25276 4.3931 6.66954 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 8.28737 11.5407 7.27693 13.2115 6.45686 9.75201 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 5.09688 6.16378 7.12017 8.22984 9.75737 9.5669 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 9.26343 5.69359 7.12017 6.6157 9.75737 9.5669 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 7.65229 12.468 8.729 6.73172 5.39346 9.77017 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 5.87387 11.3694 6.34525 18.3361 12.7083 9.35942 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 8.14071 10.9764 8.03372 11.5412 4.55551 9.94578 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 6.38977 6.53994 8.86329 13.1409 10.3369 8.92828 numMergedOcc 0
12 mol 131 unq 1 iso 0 dist 6.38977 6.53994 8.86329 8.74658 7.7567 5.56627 numMergedOcc 0
13 mol 131 unq 2 iso 0 dist 9.69757 6.53994 8.71039 13.1409 7.92788 8.92828 numMergedOcc 0
14 mol 131 unq 3 iso 0 dist 9.69757 6.53994 8.71039 8.74658 8.23791 5.56627 numMergedOcc 0
15 mol 131 unq 4 iso 0 dist 9.69757 13.4383 6.92648 13.1409 7.92788 5.44303 numMergedOcc 0
16 mol 131 unq 5 iso 0 dist 9.69757 13.4383 6.92648 8.74658 8.23791 8.50562 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 4.93035 5.74529 6.69515 9.78937 10.1386 4.46777 numMergedOcc 0
18 mol 141 unq 1 iso 0 dist 4.93035 5.74529 6.69515 9.14007 7.42649 6.94988 numMergedOcc 0
19 mol 141 unq 2 iso 0 dist 9.75558 5.74529 7.86572 9.78937 10.1432 4.46777 numMergedOcc 0
20 mol 141 unq 3 iso 0 dist 9.75558 5.74529 7.86572 9.14007 9.43674 6.94988 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 9.25528 6.09526 6.51749 5.6688 5.6044 7.11785 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 5.63906 8.39509 9.83476 11.3789 10.5063 4.5271 numMergedOcc 0
23 mol 186 unq 1 iso 0 dist 5.63906 8.39509 9.83476 14.0011 14.4429 7.02575 numMergedOcc 0
24 mol 196 unq 0 iso 0 dist 6.64506 11.9967 8.20691 14.4427 8.61276 8.57986 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 7.92766 10.2224 6.85441 6.21588 5.86489 5.91727 numMergedOcc 0
26 mol 227 unq 0 iso 0 dist 6.18486 5.98086 5.87815 8.85568 6.67321 7.95359 numMergedOcc 0
27 mol 253 unq 0 iso 0 dist 5.76077 5.37783 7.77998 7.06589 5.78064 8.15091 numMergedOcc 0
28 mol 253 unq 1 iso 0 dist 7.0247 14.5125 7.77998 8.70383 5.78064 8.15091 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 7.22378 4.56307 6.70815 13.074 10.8558 9.91199 numMergedOcc 0
