0 mol 25 unq 0 iso 0 dist 7.0928 11.7801 8.87757 18.8855 15.5644 8.50222 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 7.0928 11.7801 8.87757 18.8279 16.1048 7.55264 numMergedOcc 0
2 mol 65 unq 0 iso 0 dist 9.9997 8.24043 6.72639 13.6464 5.48814 6.76508 numMergedOcc 0
3 mol 65 unq 1 iso 0 dist 9.9997 11.819 9.34791 19.283 14.4691 7.90294 numMergedOcc 0
4 mol 65 unq 2 iso 0 dist 9.9997 11.819 9.34791 13.6464 5.48814 8.22785 numMergedOcc 0
5 mol 65 unq 3 iso 0 dist 9.38611 4.91428 6.76508 11.2196 5.48814 6.72639 numMergedOcc 0
6 mol 65 unq 4 iso 0 dist 9.38611 7.66509 8.22785 11.0466 10.2941 7.90294 numMergedOcc 0
7 mol 65 unq 5 iso 0 dist 9.38611 7.66509 8.22785 11.2196 5.48814 9.34791 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 8.59784 8.66162 6.52773 13.3176 4.85907 9.11344 numMergedOcc 0
9 mol 125 unq 0 iso 0 dist 8.38646 6.24872 7.73435 10.0521 5.20403 8.76789 numMergedOcc 0
10 mol 125 unq 1 iso 0 dist 8.38646 10.4668 9.3778 10.0521 5.20403 9.08382 numMergedOcc 0
11 mol 125 unq 2 iso 0 dist 8.38646 10.4668 9.3778 16.2517 11.8325 7.47069 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 6.99089 10.0674 7.80532 9.54911 5.79898 5.83771 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 9.75558 9.62363 9.97343 15.9009 11.4307 9.70413 numMergedOcc 0
14 mol 148 unq 0 iso 0 dist 9.7168 6.57631 9.99156 10.5375 5.99954 9.91993 numMergedOcc 0
15 mol 148 unq 1 iso 0 dist 9.7168 8.40891 8.18085 10.5375 5.99954 6.22055 numMergedOcc 0
16 mol 150 unq 0 iso 0 dist 9.61132 6.56068 9.8656 10.4957 5.93095 9.96691 numMergedOcc 0
17 mol 150 unq 1 iso 0 dist 9.61132 8.32178 7.94889 10.4957 5.93095 6.14675 numMergedOcc 0
18 mol 155 unq 0 iso 0 dist 8.14907 7.76857 6.53347 12.8305 7.01918 8.69157 numMergedOcc 0
19 mol 156 unq 0 iso 0 dist 7.39961 5.95655 6.30021 7.80643 5.76755 9.47433 numMergedOcc 0
20 mol 156 unq 1 iso 0 dist 7.80643 11.7605 9.44367 12.2418 5.56175 7.90267 numMergedOcc 0
21 mol 156 unq 2 iso 0 dist 7.80643 5.95655 9.47433 7.39961 5.76755 6.30021 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 6.96824 9.91956 6.41453 14.2075 8.85576 9.39829 numMergedOcc 0
23 mol 206 unq 0 iso 0 dist 8.59262 14.201 7.75885 13.3597 5.63422 6.16414 numMergedOcc 0
24 mol 213 unq 0 iso 0 dist 6.82185 5.50169 7.73322 6.82881 5.45334 8.14332 numMergedOcc 0
25 mol 213 unq 1 iso 0 dist 6.82881 5.50169 8.14332 6.82185 5.45334 7.73322 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 7.2527 10.0472 7.57812 7.13194 10.0191 9.24557 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 7.13194 10.0472 9.24557 7.2527 10.0191 7.57812 numMergedOcc 0
28 mol 238 unq 2 iso 0 dist 9.29203 13.6806 7.57812 7.80166 10.0191 9.24557 numMergedOcc 0
29 mol 238 unq 3 iso 0 dist 7.80166 13.6806 9.24557 9.29203 10.0191 7.57812 numMergedOcc 0
30 mol 249 unq 0 iso 0 dist 6.42827 5.74889 5.48118 10.0497 5.3927 7.25858 numMergedOcc 0
31 mol 258 unq 0 iso 0 dist 7.22378 4.39424 7.21311 13.9191 12.321 9.63959 numMergedOcc 0
32 mol 258 unq 1 iso 0 dist 7.22378 4.39424 7.21311 11.719 10.7374 9.96262 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 6.49599 10.451 7.98231 9.47382 6.96053 7.08526 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 9.47382 10.451 7.08526 6.49599 6.96053 7.98231 numMergedOcc 0
35 mol 284 unq 0 iso 0 dist 9.27402 15.7062 9.33437 9.26573 5.87439 7.8343 numMergedOcc 0
36 mol 284 unq 1 iso 0 dist 9.26573 15.7062 7.8343 9.27402 5.87439 9.33437 numMergedOcc 0
