0 mol 26 unq 0 iso 0 dist 8.01238 10.1501 8.98417 11.3323 9.11311 12.6093 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.58319 5.28841 6.8073 9.02334 8.12997 10.7407 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 8.58319 5.28841 6.8073 10.5927 6.13153 10.8995 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 8.58319 5.28841 6.8073 13.7714 5.7836 10.5685 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 8.58319 5.28841 6.8073 8.34343 7.32996 5.44298 numMergedOcc 0
5 mol 48 unq 4 iso 0 dist 8.58319 5.28841 6.8073 4.67004 5.89173 4.92775 numMergedOcc 0
6 mol 48 unq 5 iso 0 dist 8.31952 4.99432 6.42242 8.81271 7.84895 10.3657 numMergedOcc 0
7 mol 48 unq 6 iso 0 dist 8.31952 4.99432 6.42242 10.3594 5.8541 10.4457 numMergedOcc 0
8 mol 48 unq 7 iso 0 dist 8.31952 4.99432 6.42242 13.5251 5.82264 10.1874 numMergedOcc 0
9 mol 48 unq 8 iso 0 dist 8.31952 4.99432 6.42242 8.11968 7.20729 5.39197 numMergedOcc 0
10 mol 48 unq 9 iso 0 dist 8.31952 4.99432 6.42242 4.70736 5.72703 4.89976 numMergedOcc 0
11 mol 55 unq 0 iso 0 dist 9.3341 10.1436 9.89804 10.9631 6.76315 8.45962 numMergedOcc 0
12 mol 91 unq 0 iso 0 dist 7.42828 10.1359 6.93893 6.21311 9.97813 12.7678 numMergedOcc 0
13 mol 91 unq 1 iso 0 dist 5.98441 11.3866 6.93893 7.17072 9.97813 12.7678 numMergedOcc 0
14 mol 91 unq 2 iso 0 dist 5.45873 9.36488 6.93893 10.0233 9.97813 12.7678 numMergedOcc 0
15 mol 93 unq 0 iso 0 dist 8.29506 6.83777 7.13064 8.25205 5.56839 9.6722 numMergedOcc 0
16 mol 93 unq 1 iso 0 dist 7.24843 10.4382 7.13064 3.27874 5.56839 9.6722 numMergedOcc 0
17 mol 93 unq 2 iso 0 dist 6.58492 6.83777 7.8962 8.25205 7.83506 9.6722 numMergedOcc 0
18 mol 93 unq 3 iso 0 dist 7.63783 10.4382 7.8962 3.27874 7.83506 9.6722 numMergedOcc 0
19 mol 123 unq 0 iso 0 dist 7.36361 11.4714 9.52442 5.85997 9.42762 9.9391 numMergedOcc 0
20 mol 123 unq 1 iso 0 dist 7.36361 11.4714 9.52442 3.61945 7.30244 14.0666 numMergedOcc 0
21 mol 158 unq 0 iso 0 dist 8.94488 11.9567 7.23059 5.94889 4.6512 6.50596 numMergedOcc 0
22 mol 194 unq 0 iso 0 dist 7.71806 12.1121 5.4455 4.02402 8.43182 11.7008 numMergedOcc 0
23 mol 230 unq 0 iso 0 dist 9.3968 10.6631 9.07808 9.61033 8.91416 9.09648 numMergedOcc 0
24 mol 244 unq 0 iso 0 dist 9.28249 14.9665 9.97458 15.678 9.30179 4.80974 numMergedOcc 0
25 mol 244 unq 1 iso 0 dist 9.28249 14.9665 9.97458 14.6968 6.10489 13.59 numMergedOcc 0
26 mol 244 unq 2 iso 0 dist 9.28249 14.9665 9.97458 11.0278 4.4204 12.146 numMergedOcc 0
27 mol 256 unq 0 iso 0 dist 8.73597 17.3254 9.65136 11.8209 4.36333 6.51471 numMergedOcc 0
28 mol 256 unq 1 iso 0 dist 8.73597 10.8411 7.54955 11.8209 4.36333 5.24147 numMergedOcc 0
29 mol 256 unq 2 iso 0 dist 7.32198 14.7962 9.65136 8.94771 4.36333 6.51471 numMergedOcc 0
30 mol 256 unq 3 iso 0 dist 7.32198 6.79286 7.54955 8.94771 4.36333 5.24147 numMergedOcc 0
31 mol 266 unq 0 iso 0 dist 5.62193 5.26607 9.54381 5.36106 9.32971 6.09382 numMergedOcc 0
32 mol 278 unq 0 iso 0 dist 8.91606 15.1561 9.73172 3.64811 8.1769 14.4747 numMergedOcc 0
33 mol 278 unq 1 iso 0 dist 8.91606 15.1561 9.73172 6.31745 7.1656 10.0491 numMergedOcc 0
34 mol 279 unq 0 iso 0 dist 6.35591 10.1375 9.24164 7.72714 8.25623 11.0658 numMergedOcc 0
35 mol 279 unq 1 iso 0 dist 6.35591 10.1375 9.24164 6.15282 8.77098 5.67885 numMergedOcc 0
36 mol 279 unq 2 iso 0 dist 6.35591 10.1375 9.24164 3.75969 9.78784 13.3369 numMergedOcc 0
37 mol 294 unq 0 iso 0 dist 8.83246 5.52829 7.14502 9.80371 9.01437 12.8415 numMergedOcc 0
