0 mol 16 unq 0 iso 0 dist 7.46752 9.47421 5.94084 5.66097 7.63133 5.47769 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 7.46752 9.47421 5.94084 6.06561 5.46498 6.58035 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 7.46752 9.47421 5.94084 8.02077 8.71745 12.1189 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 8.18518 5.36258 6.55187 14.1404 8.4674 14.6255 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 8.18518 5.36258 6.55187 6.57145 4.54938 8.23643 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 8.18518 5.36258 6.55187 6.01189 7.82074 8.73972 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 8.23292 6.80822 4.70708 12.4427 5.04899 9.43699 numMergedOcc 0
7 mol 34 unq 0 iso 0 dist 6.85305 6.72467 6.29127 4.70723 9.24927 11.167 numMergedOcc 0
8 mol 41 unq 0 iso 0 dist 4.68793 7.64235 6.59294 5.72331 6.19529 10.902 numMergedOcc 0
9 mol 41 unq 1 iso 0 dist 4.68793 6.00623 5.62412 5.72331 6.19529 10.7411 numMergedOcc 0
10 mol 41 unq 2 iso 0 dist 4.68793 6.59367 5.0364 5.72331 6.19529 9.68811 numMergedOcc 0
11 mol 59 unq 0 iso 0 dist 9.05547 8.10708 14.134 6.34748 6.85766 12.4738 numMergedOcc 0
12 mol 64 unq 0 iso 0 dist 9.10915 7.72437 10.6667 9.73304 9.67592 16.3249 numMergedOcc 0
13 mol 64 unq 1 iso 0 dist 5.54343 8.61926 5.35421 5.59762 9.67592 11.9355 numMergedOcc 0
14 mol 71 unq 0 iso 0 dist 8.21553 6.59302 9.06307 5.87956 7.38797 10.0893 numMergedOcc 0
15 mol 71 unq 1 iso 0 dist 8.21553 9.93626 11.3111 5.87956 7.38797 14.513 numMergedOcc 0
16 mol 75 unq 0 iso 0 dist 7.16583 7.14313 10.0425 6.77761 7.79912 5.15851 numMergedOcc 0
17 mol 100 unq 0 iso 0 dist 9.57498 6.0026 7.2495 6.89762 6.45675 8.72704 numMergedOcc 0
18 mol 102 unq 0 iso 0 dist 9.0361 6.793 5.498 7.49575 7.36792 9.94856 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 6.09472 8.81198 5.60178 5.74878 4.99221 6.50039 numMergedOcc 0
20 mol 143 unq 0 iso 0 dist 7.5984 8.57285 5.44503 5.11989 5.99315 9.93541 numMergedOcc 0
21 mol 175 unq 0 iso 0 dist 6.73365 7.77669 10.3111 5.73338 5.6234 11.4911 numMergedOcc 0
22 mol 175 unq 1 iso 0 dist 6.73365 7.77669 10.3111 12.753 9.92231 18.6053 numMergedOcc 0
23 mol 175 unq 2 iso 0 dist 9.45659 7.77669 10.6973 5.73338 6.57069 11.4911 numMergedOcc 0
24 mol 222 unq 0 iso 0 dist 7.27481 7.46845 7.61682 5.68063 6.00706 10.8957 numMergedOcc 0
25 mol 222 unq 1 iso 0 dist 7.27481 7.46845 7.61682 5.90074 7.54212 7.18956 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 4.79841 8.15582 5.70973 11.4653 8.95269 13.5141 numMergedOcc 0
27 mol 236 unq 0 iso 0 dist 6.73134 5.77356 6.40312 5.52669 8.04248 10.6445 numMergedOcc 0
28 mol 236 unq 1 iso 0 dist 6.73134 5.77356 6.40312 5.27568 8.35971 7.17676 numMergedOcc 0
29 mol 236 unq 2 iso 0 dist 6.73134 9.24309 6.2568 5.52669 8.04248 10.5433 numMergedOcc 0
30 mol 236 unq 3 iso 0 dist 6.73134 9.24309 6.2568 5.27568 8.35971 6.68463 numMergedOcc 0
31 mol 239 unq 0 iso 0 dist 9.27989 9.51945 18.276 12.1502 6.16342 19.9505 numMergedOcc 0
32 mol 248 unq 0 iso 0 dist 6.44967 9.83514 6.48757 9.48478 7.69895 6.07192 numMergedOcc 0
33 mol 272 unq 0 iso 0 dist 8.82094 6.52635 10.9667 4.78295 8.48753 9.96573 numMergedOcc 0
