0 mol 33 unq 0 iso 0 dist 8.94949 5.84349 14.0108 3.82411 12.6778 4.64187 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 8.94949 5.84349 14.0108 4.28598 10.6106 7.95437 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.4815 6.887 10.4688 5.29955 9.56614 6.52283 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 8.8197 7.93454 4.53851 3.63648 8.4441 9.41098 numMergedOcc 0
4 mol 37 unq 0 iso 0 dist 6.65821 9.15499 3.88248 3.96491 8.61124 9.59073 numMergedOcc 0
5 mol 37 unq 1 iso 0 dist 6.02633 9.15499 6.78844 3.96491 5.1625 9.59073 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 9.62096 8.52697 17.0218 8.47393 16.5992 9.04293 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 7.93317 8.52697 13.5391 8.47393 13.7564 9.04293 numMergedOcc 0
8 mol 79 unq 2 iso 0 dist 7.11013 8.52697 4.1859 8.47393 9.11491 9.04293 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 7.46478 6.24296 7.2898 3.81285 5.61151 4.29937 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 7.46478 6.24296 7.2898 6.17121 6.54289 5.37869 numMergedOcc 0
11 mol 85 unq 2 iso 0 dist 7.46478 6.83218 4.13305 3.81285 5.61151 3.65628 numMergedOcc 0
12 mol 85 unq 3 iso 0 dist 7.46478 6.83218 4.13305 6.17121 6.54289 4.05415 numMergedOcc 0
13 mol 93 unq 0 iso 0 dist 5.77804 9.43355 12.1673 13.6305 17.6028 6.67678 numMergedOcc 0
14 mol 93 unq 1 iso 0 dist 5.77804 9.43355 12.1673 14.1431 18.4528 7.24956 numMergedOcc 0
15 mol 93 unq 2 iso 0 dist 5.77804 9.43355 12.1673 3.99275 8.70794 8.28591 numMergedOcc 0
16 mol 93 unq 3 iso 0 dist 5.77804 9.43355 12.1673 6.46195 12.2186 9.40687 numMergedOcc 0
17 mol 93 unq 4 iso 0 dist 5.77804 5.64141 7.30779 3.99275 8.70794 5.35008 numMergedOcc 0
18 mol 93 unq 5 iso 0 dist 5.77804 5.64141 7.30779 6.46195 12.2186 8.84576 numMergedOcc 0
19 mol 93 unq 6 iso 0 dist 5.77804 5.46186 9.18194 3.99275 8.70794 8.30921 numMergedOcc 0
20 mol 93 unq 7 iso 0 dist 5.77804 5.46186 9.18194 6.46195 12.2186 7.39732 numMergedOcc 0
21 mol 93 unq 8 iso 0 dist 5.77804 5.46186 9.18194 10.4525 16.0253 9.67744 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 6.96294 5.24228 6.37052 6.46148 11.6867 5.95801 numMergedOcc 0
23 mol 141 unq 1 iso 0 dist 6.96294 5.24228 6.37052 14.5965 15.1155 9.92715 numMergedOcc 0
24 mol 147 unq 0 iso 0 dist 7.6489 8.10157 13.6845 3.75216 10.4624 5.12272 numMergedOcc 0
25 mol 147 unq 1 iso 0 dist 7.6489 8.10157 13.6845 6.64419 12.6781 8.7121 numMergedOcc 0
26 mol 218 unq 0 iso 0 dist 8.03194 5.4767 10.1772 6.58822 14.2224 6.17843 numMergedOcc 0
27 mol 218 unq 1 iso 0 dist 8.03194 5.4767 10.1772 9.62149 16.9743 8.52772 numMergedOcc 0
28 mol 225 unq 0 iso 0 dist 8.94219 7.9002 3.92979 13.7057 11.9652 8.74463 numMergedOcc 0
29 mol 233 unq 0 iso 0 dist 7.40764 9.79864 6.80416 13.1316 10.6024 8.4338 numMergedOcc 0
30 mol 243 unq 0 iso 0 dist 9.85284 9.49016 10.9216 18.1416 16.8578 9.53137 numMergedOcc 0
