0 mol 7 unq 0 iso 0 dist 7.11539 15.5773 9.97624 6.44558 6.14469 13.0969 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 9.52857 14.8356 6.96422 10.1802 5.76024 5.4274 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 9.52857 14.8356 6.96422 11.8349 7.92714 8.06296 numMergedOcc 0
3 mol 12 unq 2 iso 0 dist 9.52857 14.8356 6.96422 13.1322 8.47217 6.65972 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 8.3794 4.96682 6.50647 7.49229 6.03257 6.19131 numMergedOcc 0
5 mol 17 unq 0 iso 0 dist 7.8304 9.90289 7.82406 4.47542 7.25951 6.31299 numMergedOcc 0
6 mol 17 unq 1 iso 0 dist 5.74567 9.90289 9.877 4.47542 7.92012 6.31299 numMergedOcc 0
7 mol 46 unq 0 iso 0 dist 8.23202 9.39741 6.61977 5.74722 8.0543 5.99025 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 8.50475 9.78889 7.34031 12.3426 8.29857 8.13678 numMergedOcc 0
9 mol 48 unq 1 iso 0 dist 7.66163 5.52962 7.34031 11.2238 8.29857 8.13678 numMergedOcc 0
10 mol 48 unq 2 iso 0 dist 9.48288 10.1477 7.34031 15.6905 8.29857 8.13678 numMergedOcc 0
11 mol 48 unq 3 iso 0 dist 7.1796 5.20585 7.281 11.0606 8.19993 8.24402 numMergedOcc 0
12 mol 48 unq 4 iso 0 dist 9.16212 9.98618 7.281 15.6648 8.19993 8.24402 numMergedOcc 0
13 mol 79 unq 0 iso 0 dist 9.76351 14.7309 9.63599 16.5814 9.78384 6.49291 numMergedOcc 0
14 mol 79 unq 1 iso 0 dist 9.76351 14.7309 9.63599 4.39227 8.87742 11.51 numMergedOcc 0
15 mol 79 unq 2 iso 0 dist 9.76351 14.7309 9.63599 8.32896 4.93468 7.82761 numMergedOcc 0
16 mol 79 unq 3 iso 0 dist 9.76351 11.7335 8.01743 16.5814 9.78384 6.4154 numMergedOcc 0
17 mol 79 unq 4 iso 0 dist 9.76351 11.7335 8.01743 4.39227 8.87742 11.4135 numMergedOcc 0
18 mol 79 unq 5 iso 0 dist 9.76351 11.7335 8.01743 8.32896 4.93468 4.58851 numMergedOcc 0
19 mol 114 unq 0 iso 0 dist 8.55826 18.0914 9.83981 5.78064 8.42878 16.0864 numMergedOcc 0
20 mol 114 unq 1 iso 0 dist 8.55826 13.7458 6.13559 5.78064 8.42878 11.1434 numMergedOcc 0
21 mol 114 unq 2 iso 0 dist 8.55826 8.67095 6.51395 5.78064 8.42878 4.41568 numMergedOcc 0
22 mol 128 unq 0 iso 0 dist 9.05678 5.53962 7.75012 7.14818 7.48321 3.98036 numMergedOcc 0
23 mol 141 unq 0 iso 0 dist 8.81111 15.0866 7.31037 11.3783 6.75376 7.64948 numMergedOcc 0
24 mol 156 unq 0 iso 0 dist 8.75305 12.3219 7.30946 5.6621 8.21184 8.79853 numMergedOcc 0
25 mol 156 unq 1 iso 0 dist 8.75305 12.3219 7.30946 6.65278 5.41575 5.69209 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 8.90567 4.98086 6.32777 8.96857 8.86197 7.23063 numMergedOcc 0
27 mol 181 unq 1 iso 0 dist 8.90567 4.98086 6.32777 6.03835 5.94379 5.42554 numMergedOcc 0
28 mol 181 unq 2 iso 0 dist 9.2933 14.0045 5.97685 5.10499 7.22883 11.2039 numMergedOcc 0
29 mol 181 unq 3 iso 0 dist 9.2933 17.8726 8.9289 5.10499 7.22883 15.9559 numMergedOcc 0
30 mol 181 unq 4 iso 0 dist 7.08557 10.2555 7.05653 7.314 9.92471 9.67649 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 6.80544 5.05275 6.62002 4.04422 5.92374 4.38002 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 6.80544 15.0682 9.69818 4.04422 5.92374 14.6816 numMergedOcc 0
33 mol 238 unq 2 iso 0 dist 6.80544 13.1727 6.73446 4.04422 5.92374 11.5793 numMergedOcc 0
34 mol 250 unq 0 iso 0 dist 5.92578 4.82553 6.28538 8.13148 9.70149 6.40578 numMergedOcc 0
35 mol 265 unq 0 iso 0 dist 9.68583 9.72334 5.40318 4.15342 8.984 6.88401 numMergedOcc 0
36 mol 266 unq 0 iso 0 dist 9.34312 11.7017 9.71152 14.8724 7.00243 9.15303 numMergedOcc 0
37 mol 266 unq 1 iso 0 dist 7.53905 8.46837 9.71152 5.01805 7.00243 9.15303 numMergedOcc 0
38 mol 273 unq 0 iso 0 dist 9.16554 8.67797 8.68913 11.4694 7.16346 13.9948 numMergedOcc 0
39 mol 273 unq 1 iso 0 dist 9.65597 17.2732 8.68913 4.73332 7.16346 13.9948 numMergedOcc 0
