0 mol 7 unq 0 iso 0 dist 5.77374 9.8603 5.70161 4.01354 5.27578 10.6926 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.57437 9.8603 4.57188 4.01354 8.94586 10.6926 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.85573 7.78905 6.07691 9.64095 7.42925 9.6782 numMergedOcc 0
3 mol 44 unq 1 iso 0 dist 6.21423 9.44909 6.07691 4.83412 7.42925 9.6782 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 9.52763 7.20538 7.91078 3.63144 9.78973 7.16773 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 9.67403 8.46556 11.5608 17.1697 9.32664 18.8776 numMergedOcc 0
6 mol 63 unq 0 iso 0 dist 7.89201 9.87719 4.49178 3.72318 9.22331 10.414 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 6.23298 9.46247 10.8254 7.29309 9.30836 15.6568 numMergedOcc 0
8 mol 67 unq 1 iso 0 dist 6.23298 9.46247 10.8254 4.31746 6.58279 11.6703 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 9.87177 8.06168 4.49951 4.53047 7.45801 6.02816 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 9.87177 8.06168 4.49951 14.8438 5.30477 9.06229 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 6.70925 8.67532 4.49951 7.05537 7.45801 6.02816 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 6.70925 8.67532 4.49951 7.25285 5.30477 9.06229 numMergedOcc 0
13 mol 108 unq 0 iso 0 dist 9.82453 8.77983 5.3016 13.9156 8.06774 13.0688 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 9.44788 8.82535 7.64443 6.49348 5.58734 10.4034 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 9.44788 6.18763 6.83988 6.49348 5.58734 8.00003 numMergedOcc 0
16 mol 119 unq 2 iso 0 dist 9.44788 8.44385 14.8957 6.49348 5.58734 13.7362 numMergedOcc 0
17 mol 119 unq 3 iso 0 dist 9.44788 5.63005 12.1168 6.49348 5.58734 9.77873 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 6.85651 9.3894 8.00493 14.4497 8.70392 15.5952 numMergedOcc 0
19 mol 162 unq 0 iso 0 dist 8.77869 8.25167 6.71523 4.13881 9.25835 6.45896 numMergedOcc 0
20 mol 219 unq 0 iso 0 dist 9.52151 4.87446 10.9246 12.6614 9.30312 16.5657 numMergedOcc 0
21 mol 219 unq 1 iso 0 dist 9.52151 7.49235 13.5876 12.6614 9.30312 16.5956 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 6.14732 9.07872 13.552 4.21811 8.61546 6.02296 numMergedOcc 0
23 mol 227 unq 1 iso 0 dist 6.14732 9.07872 13.552 11.032 7.17024 14.1717 numMergedOcc 0
24 mol 243 unq 0 iso 0 dist 8.28364 6.86162 5.75876 10.9686 5.98438 11.1208 numMergedOcc 0
25 mol 249 unq 0 iso 0 dist 7.279 6.37672 9.82483 4.20164 4.68783 5.48118 numMergedOcc 0
26 mol 249 unq 1 iso 0 dist 8.43448 8.94023 9.82483 5.93404 4.68783 5.48118 numMergedOcc 0
27 mol 256 unq 0 iso 0 dist 9.37687 7.67598 9.07441 15.2988 7.40057 13.0251 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 5.98006 8.06771 5.71237 5.61261 9.69025 7.98231 numMergedOcc 0
29 mol 265 unq 0 iso 0 dist 6.98812 7.04833 5.56416 10.7881 7.49913 6.71375 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 8.14634 6.55855 10.2307 5.15747 9.02661 6.39866 numMergedOcc 0
31 mol 274 unq 1 iso 0 dist 8.14634 9.52894 16.0912 5.15747 9.02661 10.6913 numMergedOcc 0
