0 mol 18 unq 0 iso 0 dist 8.02108 6.79099 4.96555 13.4014 13.7283 9.51761 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.02108 6.79099 4.96555 5.27833 11.0264 7.3094 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 5.58467 9.15677 7.42841 16.4682 12.7979 8.34347 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 8.49367 7.68916 12.5654 11.9986 18.7401 9.80098 numMergedOcc 0
4 mol 52 unq 1 iso 0 dist 8.49367 7.68916 12.5654 13.3091 19.7579 7.34143 numMergedOcc 0
5 mol 66 unq 0 iso 0 dist 7.48714 7.69019 6.66235 5.89221 10.3005 8.96624 numMergedOcc 0
6 mol 70 unq 0 iso 0 dist 4.79868 9.74268 9.69588 6.95018 10.1127 9.65964 numMergedOcc 0
7 mol 86 unq 0 iso 0 dist 9.34342 5.49793 4.98527 5.82069 14.315 9.5497 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 6.46753 9.79448 9.75166 7.78467 12.4824 8.14887 numMergedOcc 0
9 mol 127 unq 1 iso 0 dist 6.46753 9.79448 9.75166 6.02237 8.40046 9.30299 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 6.30762 6.38977 8.25445 6.82985 11.439 8.40312 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 6.30762 9.69757 11.8349 6.82985 11.439 7.12972 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 8.20024 8.72463 4.98373 14.0766 9.73212 5.99315 numMergedOcc 0
13 mol 143 unq 1 iso 0 dist 7.19059 8.72463 10.6381 14.0766 13.7165 5.99315 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 8.46837 7.80643 5.0966 6.52984 7.30021 7.44554 numMergedOcc 0
15 mol 175 unq 0 iso 0 dist 7.01007 8.50904 9.78176 8.09861 10.7272 9.0018 numMergedOcc 0
16 mol 175 unq 1 iso 0 dist 7.01007 8.50904 9.78176 10.1323 14.7648 7.652 numMergedOcc 0
17 mol 175 unq 2 iso 0 dist 7.01007 7.04318 6.15969 8.09861 10.7272 5.6234 numMergedOcc 0
18 mol 175 unq 3 iso 0 dist 7.01007 7.04318 6.15969 10.1323 14.7648 9.92231 numMergedOcc 0
19 mol 178 unq 0 iso 0 dist 8.65373 6.01118 12.4317 9.73148 16.6032 6.69288 numMergedOcc 0
20 mol 178 unq 1 iso 0 dist 8.6561 6.01118 9.99051 9.73148 15.5649 6.69288 numMergedOcc 0
21 mol 178 unq 2 iso 0 dist 9.1197 6.01118 5.13245 9.73148 10.8927 6.69288 numMergedOcc 0
22 mol 182 unq 0 iso 0 dist 5.16184 6.31492 5.40949 7.48422 7.86625 9.31746 numMergedOcc 0
23 mol 182 unq 1 iso 0 dist 8.54162 7.8621 5.40949 6.98787 7.86625 9.31746 numMergedOcc 0
24 mol 210 unq 0 iso 0 dist 8.87835 7.19917 5.82028 9.55205 9.67457 6.18308 numMergedOcc 0
25 mol 210 unq 1 iso 0 dist 8.93859 7.19917 4.62641 9.55205 9.90494 6.18308 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 4.58449 8.93637 6.24624 14.8074 13.1834 9.23153 numMergedOcc 0
27 mol 220 unq 1 iso 0 dist 7.03223 8.93637 6.02282 14.8074 11.004 9.23153 numMergedOcc 0
28 mol 222 unq 0 iso 0 dist 9.91243 7.14277 5.66819 4.02914 11.0097 7.21333 numMergedOcc 0
29 mol 224 unq 0 iso 0 dist 7.73616 7.69537 7.85135 5.92906 13.1222 9.40098 numMergedOcc 0
30 mol 224 unq 1 iso 0 dist 7.73616 7.69537 7.85135 5.41675 6.08709 6.61986 numMergedOcc 0
31 mol 231 unq 0 iso 0 dist 9.16488 8.17766 5.3251 11.3675 7.79865 7.37839 numMergedOcc 0
32 mol 231 unq 1 iso 0 dist 9.16488 8.17766 5.3251 12.5238 6.14348 8.40182 numMergedOcc 0
33 mol 231 unq 2 iso 0 dist 9.35875 9.84965 9.0084 14.0116 15.5078 7.37839 numMergedOcc 0
34 mol 231 unq 3 iso 0 dist 9.35875 9.84965 9.0084 16.7305 17.1148 8.40182 numMergedOcc 0
35 mol 241 unq 0 iso 0 dist 8.99792 8.62971 4.86437 4.99503 9.72526 7.4631 numMergedOcc 0
36 mol 248 unq 0 iso 0 dist 8.50325 8.34646 5.35181 6.21372 10.9928 8.2965 numMergedOcc 0
37 mol 261 unq 0 iso 0 dist 8.9569 7.26647 15.1428 4.95196 11.6093 7.73141 numMergedOcc 0
38 mol 261 unq 1 iso 0 dist 8.9569 7.26647 15.1428 9.29412 17.9341 8.43057 numMergedOcc 0
39 mol 261 unq 2 iso 0 dist 8.9569 7.7309 15.7709 9.29412 17.9341 6.05727 numMergedOcc 0
40 mol 265 unq 0 iso 0 dist 9.97669 4.96568 5.11366 5.25115 12.3211 8.4218 numMergedOcc 0
41 mol 279 unq 0 iso 0 dist 8.85653 8.27977 6.03718 13.1217 14.3672 9.70696 numMergedOcc 0
42 mol 282 unq 0 iso 0 dist 9.40138 7.70229 4.58403 8.93697 5.67266 8.76532 numMergedOcc 0
43 mol 282 unq 1 iso 0 dist 9.40138 7.90792 5.04235 8.93697 5.67266 6.33524 numMergedOcc 0
44 mol 282 unq 2 iso 0 dist 8.37963 7.70229 14.9812 8.93697 16.9709 8.76532 numMergedOcc 0
45 mol 282 unq 3 iso 0 dist 8.37963 7.90792 15.4482 8.93697 16.9709 6.33524 numMergedOcc 0
