0 mol 30 unq 0 iso 0 dist 9.41816 9.28346 4.43881 8.66179 8.18794 7.53042 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.54999 9.61711 7.79998 6.66552 7.67459 11.4639 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 9.28357 8.51543 4.80624 7.17313 5.37449 6.62246 numMergedOcc 0
3 mol 81 unq 0 iso 0 dist 8.53662 8.07716 7.3895 13.4131 9.24998 11.0132 numMergedOcc 0
4 mol 81 unq 1 iso 0 dist 8.16146 5.78829 7.3895 7.717 9.24998 11.0132 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 8.29601 6.91417 13.7755 12.6858 9.83234 19.582 numMergedOcc 0
6 mol 96 unq 0 iso 0 dist 8.40684 8.35452 11.1777 7.7528 8.71026 9.85392 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 5.62903 6.5258 4.87668 4.33372 6.39026 8.6342 numMergedOcc 0
8 mol 125 unq 0 iso 0 dist 9.5205 6.39794 7.14674 6.57549 8.44933 10.4653 numMergedOcc 0
9 mol 125 unq 1 iso 0 dist 7.1608 6.39794 5.40131 6.57549 7.43803 10.4653 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 6.25968 8.75736 12.0992 5.50185 8.15734 12.9804 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 6.25968 8.75736 12.0992 5.58691 6.00896 10.9185 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 6.25968 6.32178 4.8408 5.50185 8.15734 10.1361 numMergedOcc 0
13 mol 134 unq 3 iso 0 dist 6.25968 6.32178 4.8408 5.58691 6.00896 6.54987 numMergedOcc 0
14 mol 140 unq 0 iso 0 dist 9.16949 6.40792 9.7827 6.09043 6.55217 7.83582 numMergedOcc 0
15 mol 140 unq 1 iso 0 dist 8.65294 6.40792 5.80354 6.09043 7.21686 7.83582 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 9.07154 9.37459 14.5814 11.5349 9.54774 10.743 numMergedOcc 0
17 mol 152 unq 1 iso 0 dist 9.07154 9.0847 16.8649 11.5349 9.54774 14.0626 numMergedOcc 0
18 mol 152 unq 2 iso 0 dist 9.07154 6.00061 12.692 11.5349 9.54774 12.9164 numMergedOcc 0
19 mol 152 unq 3 iso 0 dist 9.07154 8.33302 15.1967 11.5349 9.54774 18.015 numMergedOcc 0
20 mol 174 unq 0 iso 0 dist 8.36618 6.90813 4.69892 10.67 9.56869 6.04817 numMergedOcc 0
21 mol 183 unq 0 iso 0 dist 6.23903 9.09322 8.16006 5.24086 9.84649 13.1917 numMergedOcc 0
22 mol 217 unq 0 iso 0 dist 6.10085 7.52229 8.71371 7.92402 7.95365 14.3686 numMergedOcc 0
23 mol 241 unq 0 iso 0 dist 5.42605 8.18588 7.3737 5.67278 6.54678 9.97911 numMergedOcc 0
24 mol 243 unq 0 iso 0 dist 8.82741 8.69557 14.0902 11.6124 8.1195 15.2394 numMergedOcc 0
25 mol 243 unq 1 iso 0 dist 8.82741 9.39147 7.07529 11.6124 8.1195 12.648 numMergedOcc 0
26 mol 243 unq 2 iso 0 dist 4.88105 7.70059 7.07529 11.0067 8.1195 12.648 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 7.87577 5.31858 5.90131 5.06393 8.73425 8.21585 numMergedOcc 0
28 mol 258 unq 1 iso 0 dist 7.87577 5.71851 9.68064 5.06393 8.73425 10.6274 numMergedOcc 0
29 mol 258 unq 2 iso 0 dist 5.86702 5.31858 4.51422 5.06393 9.65711 8.21585 numMergedOcc 0
30 mol 258 unq 3 iso 0 dist 5.86702 5.71851 4.99997 5.06393 9.65711 10.6274 numMergedOcc 0
31 mol 261 unq 0 iso 0 dist 5.74302 6.85589 5.09097 4.47538 7.3406 10.5044 numMergedOcc 0
32 mol 261 unq 1 iso 0 dist 5.74302 6.68878 4.86901 4.47538 7.3406 9.91632 numMergedOcc 0
33 mol 267 unq 0 iso 0 dist 7.21009 6.54381 7.22349 12.9984 8.21131 15.3595 numMergedOcc 0
34 mol 279 unq 0 iso 0 dist 9.10723 7.63115 9.98703 8.86627 8.71966 13.1137 numMergedOcc 0
