0 mol 24 unq 0 iso 0 dist 9.7649 10.5243 8.25818 15.3398 10.0962 5.65754 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.5268 10.2093 8.25818 14.3641 10.0962 5.65754 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 7.10496 6.55665 6.87277 10.9533 5.2103 7.88072 numMergedOcc 0
3 mol 33 unq 0 iso 0 dist 4.41045 3.82411 4.78873 5.31968 5.71433 7.89306 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 8.06894 11.2724 8.14512 11.9172 5.04771 6.89855 numMergedOcc 0
5 mol 63 unq 1 iso 0 dist 8.06894 11.2724 8.14512 16.1877 9.28052 7.85738 numMergedOcc 0
6 mol 63 unq 2 iso 0 dist 5.89846 6.63195 8.14512 8.17492 5.04771 6.89855 numMergedOcc 0
7 mol 63 unq 3 iso 0 dist 5.89846 6.63195 8.14512 12.3166 9.28052 7.85738 numMergedOcc 0
8 mol 63 unq 4 iso 0 dist 9.56838 11.1855 9.13228 12.6158 9.54378 6.89855 numMergedOcc 0
9 mol 63 unq 5 iso 0 dist 9.56838 11.1855 9.13228 7.10403 4.44607 7.85738 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 6.29267 6.02092 4.15789 9.22704 6.51961 7.75543 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 8.15861 3.81285 6.67137 6.27877 6.90443 7.51319 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 8.15861 3.81285 6.67137 10.5834 14.6513 9.43839 numMergedOcc 0
13 mol 85 unq 2 iso 0 dist 8.15861 6.17121 7.04244 14.5265 13.8217 8.66427 numMergedOcc 0
14 mol 85 unq 3 iso 0 dist 8.15861 6.17121 7.04244 6.27877 6.90443 8.49887 numMergedOcc 0
15 mol 93 unq 0 iso 0 dist 8.23294 3.27874 5.20429 6.67776 4.90515 5.23929 numMergedOcc 0
16 mol 93 unq 1 iso 0 dist 8.2702 3.27874 8.71366 6.67776 5.08254 5.23929 numMergedOcc 0
17 mol 111 unq 0 iso 0 dist 8.51084 7.42165 4.91212 13.8446 6.42834 8.11813 numMergedOcc 0
18 mol 111 unq 1 iso 0 dist 5.53271 7.42165 9.34782 13.8446 15.1151 8.11813 numMergedOcc 0
19 mol 151 unq 0 iso 0 dist 5.91643 6.07474 9.37533 8.15628 4.5975 9.00461 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 7.15344 6.82158 8.32259 14.2234 10.6524 8.77524 numMergedOcc 0
21 mol 204 unq 1 iso 0 dist 9.98617 6.82158 9.93489 14.2234 9.88337 8.77524 numMergedOcc 0
22 mol 204 unq 2 iso 0 dist 8.09863 3.88406 7.64057 6.97502 6.40044 9.26192 numMergedOcc 0
23 mol 225 unq 0 iso 0 dist 5.65735 6.46348 9.54529 13.2337 13.4414 7.78392 numMergedOcc 0
24 mol 233 unq 0 iso 0 dist 6.45095 6.41178 7.83831 6.50096 5.02086 8.2484 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 5.28746 11.313 8.25286 14.7255 13.1028 7.36137 numMergedOcc 0
26 mol 266 unq 1 iso 0 dist 5.28746 11.313 8.25286 13.1046 8.39575 6.83784 numMergedOcc 0
27 mol 266 unq 2 iso 0 dist 5.28746 13.005 9.9965 14.7255 13.1028 4.95415 numMergedOcc 0
28 mol 266 unq 3 iso 0 dist 5.28746 13.005 9.9965 13.1046 8.39575 6.38519 numMergedOcc 0
29 mol 266 unq 4 iso 0 dist 7.43884 12.3524 9.9965 13.6849 9.52953 6.48382 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 9.14217 9.84883 4.68668 13.4979 9.08224 8.17436 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 9.14217 9.84883 4.68668 13.4979 9.08224 8.17436 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 9.14217 9.84883 4.68668 13.4979 9.08224 8.17436 numMergedOcc 0
