0 mol 43 unq 0 iso 0 dist 8.06275 5.71662 9.74445 8.60781 9.83618 12.8035 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.90024 18.5048 9.74445 12.664 9.83618 12.8035 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.81637 4.95437 7.84983 10.5083 9.64665 11.5448 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 5.50504 5.25196 9.62468 5.31827 8.76003 6.91052 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 5.50504 6.97911 5.92705 5.31827 8.76003 7.34319 numMergedOcc 0
5 mol 89 unq 0 iso 0 dist 8.85873 11.2532 6.36021 5.95725 8.75946 7.37332 numMergedOcc 0
6 mol 102 unq 0 iso 0 dist 8.84131 10.8385 9.10229 6.87786 9.94856 6.83631 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 6.71345 5.67441 8.42445 11.3386 8.71128 10.453 numMergedOcc 0
8 mol 142 unq 0 iso 0 dist 8.86346 7.25495 7.57458 9.01957 7.15475 5.81429 numMergedOcc 0
9 mol 142 unq 1 iso 0 dist 4.93681 5.20379 7.57458 6.17441 7.15475 5.81429 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 8.34839 5.80854 9.10619 4.99991 9.13561 10.5988 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 8.00286 5.88616 7.02715 10.949 8.87452 5.84938 numMergedOcc 0
12 mol 155 unq 1 iso 0 dist 8.00286 5.88616 7.02715 12.5071 7.68368 9.52867 numMergedOcc 0
13 mol 176 unq 0 iso 0 dist 8.78509 12.526 9.03194 12.1262 8.61331 9.17004 numMergedOcc 0
14 mol 178 unq 0 iso 0 dist 8.04723 6.1397 8.0974 11.7065 8.96511 11.6559 numMergedOcc 0
15 mol 197 unq 0 iso 0 dist 7.70631 16.2482 8.64255 14.5382 8.99696 10.1284 numMergedOcc 0
16 mol 197 unq 1 iso 0 dist 7.70631 16.2482 8.64255 12.215 7.85058 9.91133 numMergedOcc 0
17 mol 197 unq 2 iso 0 dist 7.70631 16.2482 8.64255 16.4731 9.96638 8.50763 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 8.14644 14.5536 7.31105 8.02272 6.84247 12.3402 numMergedOcc 0
19 mol 220 unq 1 iso 0 dist 8.14644 14.5536 7.31105 9.32762 6.99002 7.84277 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 9.66521 5.34424 9.18675 5.52296 5.86443 6.07589 numMergedOcc 0
21 mol 227 unq 1 iso 0 dist 9.66521 5.34424 9.18675 6.32385 7.22914 9.95811 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 9.39537 6.39493 9.75174 7.28423 6.91569 5.1967 numMergedOcc 0
23 mol 248 unq 0 iso 0 dist 7.40475 11.0674 8.71859 10.2858 6.07192 4.11367 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 7.23956 7.09461 6.90434 12.9898 9.41725 9.14131 numMergedOcc 0
25 mol 278 unq 0 iso 0 dist 9.91518 5.49004 9.82774 7.70648 6.35287 4.8589 numMergedOcc 0
