0 mol 18 unq 0 iso 0 dist 8.02108 6.79099 4.96555 13.1537 12.376 8.51213 13.4014 13.7283 9.51761 11.0081 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.02108 6.79099 4.96555 13.1537 12.376 8.51213 5.27833 11.0264 7.3094 11.3758 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 5.58467 9.15677 7.42841 14.8485 12.6049 7.34549 16.4682 12.7979 8.34347 4.76147 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 5.58467 9.15677 7.42841 16.9454 13.8862 8.09068 16.4682 12.7979 8.34347 6.30129 numMergedOcc 0
4 mol 26 unq 2 iso 0 dist 5.58467 9.15677 7.42841 17.4951 13.1542 9.72289 16.4682 12.7979 8.34347 5.93227 numMergedOcc 0
5 mol 127 unq 0 iso 0 dist 6.46753 9.79448 9.75166 7.11155 9.78409 8.09965 7.78467 12.4824 8.14887 8.45411 numMergedOcc 0
6 mol 127 unq 1 iso 0 dist 6.46753 9.79448 9.75166 7.11155 9.78409 8.09965 6.02237 8.40046 9.30299 11.3174 numMergedOcc 0
7 mol 175 unq 0 iso 0 dist 7.01007 8.50904 9.78176 9.52671 14.2319 7.94593 8.09861 10.7272 9.0018 13.2723 numMergedOcc 0
8 mol 175 unq 1 iso 0 dist 7.01007 8.50904 9.78176 9.52671 14.2319 7.94593 10.1323 14.7648 7.652 8.63795 numMergedOcc 0
9 mol 178 unq 0 iso 0 dist 8.65373 6.01118 12.4317 7.09944 15.3625 5.41229 9.73148 16.6032 6.69288 4.51874 numMergedOcc 0
10 mol 178 unq 1 iso 0 dist 8.6561 6.01118 9.99051 7.09944 14.3763 5.41229 9.73148 15.5649 6.69288 4.51874 numMergedOcc 0
11 mol 178 unq 2 iso 0 dist 9.1197 6.01118 5.13245 7.09944 8.71294 5.41229 9.73148 10.8927 6.69288 4.51874 numMergedOcc 0
12 mol 210 unq 0 iso 0 dist 8.87835 7.19917 5.82028 8.78987 8.14413 7.86668 9.55205 9.67457 6.18308 5.06314 numMergedOcc 0
13 mol 210 unq 1 iso 0 dist 8.93859 7.19917 4.62641 8.78987 12.3596 7.86668 9.55205 9.90494 6.18308 5.06314 numMergedOcc 0
14 mol 241 unq 0 iso 0 dist 8.99792 8.62971 4.86437 12.263 12.8152 8.18588 4.99503 9.72526 7.4631 10.2076 numMergedOcc 0
15 mol 261 unq 0 iso 0 dist 8.9569 7.26647 15.1428 6.15322 14.8891 6.85589 4.95196 11.6093 7.73141 5.85483 numMergedOcc 0
16 mol 261 unq 1 iso 0 dist 8.9569 7.26647 15.1428 6.15322 14.8891 6.85589 9.29412 17.9341 8.43057 4.31412 numMergedOcc 0
17 mol 261 unq 2 iso 0 dist 8.9569 7.7309 15.7709 6.15322 14.8891 6.68878 9.29412 17.9341 6.05727 4.31412 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 8.85653 8.27977 6.03718 11.9125 13.558 7.63115 13.1217 14.3672 9.70696 5.82892 numMergedOcc 0
19 mol 282 unq 0 iso 0 dist 9.40138 7.70229 4.58403 5.9433 5.72197 7.34596 8.93697 5.67266 8.76532 4.36798 numMergedOcc 0
20 mol 282 unq 1 iso 0 dist 9.40138 7.90792 5.04235 5.9433 5.72197 7.12228 8.93697 5.67266 6.33524 4.36798 numMergedOcc 0
21 mol 282 unq 2 iso 0 dist 8.37963 7.70229 14.9812 5.9433 14.0199 7.34596 8.93697 16.9709 8.76532 4.36798 numMergedOcc 0
22 mol 282 unq 3 iso 0 dist 8.37963 7.90792 15.4482 5.9433 14.0199 7.12228 8.93697 16.9709 6.33524 4.36798 numMergedOcc 0
