0 mol 59 unq 0 iso 0 dist 5.68841 5.70814 4.85476 3.60121 7.75769 5.58384 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 7.75769 5.58384 4.85476 3.60121 5.68841 5.70814 numMergedOcc 0
2 mol 83 unq 0 iso 0 dist 7.88704 7.80113 11.1337 8.83339 6.55352 14.9954 numMergedOcc 0
3 mol 83 unq 1 iso 0 dist 7.88704 7.80113 11.1337 15.8521 9.05437 20.1504 numMergedOcc 0
4 mol 83 unq 2 iso 0 dist 7.88704 7.80113 11.1337 14.6805 9.00625 19.2759 numMergedOcc 0
5 mol 83 unq 3 iso 0 dist 9.05437 9.33202 5.36222 15.8521 7.88704 11.4966 numMergedOcc 0
6 mol 83 unq 4 iso 0 dist 9.05437 9.33202 5.36222 8.80345 6.55352 10.6301 numMergedOcc 0
7 mol 83 unq 5 iso 0 dist 9.05437 9.33202 5.36222 6.27574 9.00625 6.55004 numMergedOcc 0
8 mol 83 unq 6 iso 0 dist 9.00625 6.55004 5.36222 14.6805 7.88704 11.4966 numMergedOcc 0
9 mol 83 unq 7 iso 0 dist 9.00625 6.55004 5.36222 10.2613 6.55352 10.6301 numMergedOcc 0
10 mol 83 unq 8 iso 0 dist 9.00625 6.55004 5.36222 6.27574 9.05437 9.33202 numMergedOcc 0
11 mol 90 unq 0 iso 0 dist 9.56911 9.28585 8.74347 5.82417 7.68053 12.4356 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 7.28161 9.99537 7.37399 6.46167 4.98783 11.8411 numMergedOcc 0
13 mol 110 unq 0 iso 0 dist 9.71431 5.43052 9.44492 14.8569 9.50277 14.6526 numMergedOcc 0
14 mol 110 unq 1 iso 0 dist 9.50277 9.25034 7.26404 14.8569 9.71431 16.4081 numMergedOcc 0
15 mol 132 unq 0 iso 0 dist 8.08406 7.81335 4.90131 4.05522 5.73579 7.63333 numMergedOcc 0
16 mol 132 unq 1 iso 0 dist 5.73579 7.63333 4.90131 4.05522 8.08406 7.81335 numMergedOcc 0
17 mol 195 unq 0 iso 0 dist 6.9612 9.89207 5.11289 3.98055 4.86882 9.0153 numMergedOcc 0
18 mol 195 unq 1 iso 0 dist 4.86882 9.0153 5.11289 3.98055 6.9612 9.89207 numMergedOcc 0
19 mol 244 unq 0 iso 0 dist 9.16789 9.91271 13.018 11.9396 8.19381 15.7878 numMergedOcc 0
20 mol 265 unq 0 iso 0 dist 8.6462 8.22353 4.3101 5.78969 8.70514 10.5131 numMergedOcc 0
21 mol 273 unq 0 iso 0 dist 5.75335 8.78928 7.68527 8.25517 9.83374 13.9604 numMergedOcc 0
22 mol 273 unq 1 iso 0 dist 8.76527 8.78928 10.4936 8.25517 5.97798 13.9604 numMergedOcc 0
23 mol 273 unq 2 iso 0 dist 8.76527 8.78928 10.4936 7.98105 9.40631 15.5205 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 8.12461 7.52227 5.76075 5.96716 9.027 9.79536 numMergedOcc 0
25 mol 283 unq 0 iso 0 dist 9.69083 8.80555 5.2842 10.8201 5.96202 8.80418 numMergedOcc 0
26 mol 283 unq 1 iso 0 dist 9.69083 8.80555 5.2842 10.4316 9.55068 13.3976 numMergedOcc 0
27 mol 283 unq 2 iso 0 dist 5.96202 8.80418 5.2842 10.8201 9.69083 8.80555 numMergedOcc 0
28 mol 283 unq 3 iso 0 dist 5.96202 8.80418 5.2842 7.7635 9.55068 13.3976 numMergedOcc 0
