0 mol 10 unq 0 iso 0 dist 6.31531 12.7255 9.39017 15.4437 12.4032 5.59965 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 5.25583 10.5333 9.52857 13.5592 10.1802 5.76024 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 5.25583 10.5333 9.52857 14.8056 11.8349 7.92714 numMergedOcc 0
3 mol 12 unq 2 iso 0 dist 5.25583 10.5333 9.52857 15.857 13.1322 8.47217 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 6.00684 6.0425 5.72627 10.2613 4.39227 8.03296 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 6.00684 6.0425 5.72627 11.3221 8.32896 9.26979 numMergedOcc 0
6 mol 79 unq 2 iso 0 dist 6.00684 11.8739 7.68741 10.2613 4.39227 5.82754 numMergedOcc 0
7 mol 79 unq 3 iso 0 dist 6.00684 11.8739 7.68741 11.3221 8.32896 9.05679 numMergedOcc 0
8 mol 79 unq 4 iso 0 dist 6.00684 11.9735 9.76351 18.931 16.5814 9.78384 numMergedOcc 0
9 mol 79 unq 5 iso 0 dist 6.00684 11.9735 9.76351 10.2613 4.39227 8.87742 numMergedOcc 0
10 mol 79 unq 6 iso 0 dist 6.00684 11.9735 9.76351 11.3221 8.32896 4.93468 numMergedOcc 0
11 mol 116 unq 0 iso 0 dist 5.58346 5.27853 8.3971 11.3355 10.5909 8.38606 numMergedOcc 0
12 mol 116 unq 1 iso 0 dist 7.09179 5.27853 6.74026 11.3355 6.2875 8.38606 numMergedOcc 0
13 mol 116 unq 2 iso 0 dist 6.24768 11.0498 8.3971 13.7943 10.5909 8.38606 numMergedOcc 0
14 mol 116 unq 3 iso 0 dist 9.31875 11.0498 6.74026 13.7943 6.2875 8.38606 numMergedOcc 0
15 mol 125 unq 0 iso 0 dist 9.5205 7.15048 8.74577 5.05869 6.58625 6.33431 numMergedOcc 0
16 mol 125 unq 1 iso 0 dist 7.1608 4.18419 9.94322 5.05869 6.67445 6.11502 numMergedOcc 0
17 mol 125 unq 2 iso 0 dist 7.1608 7.15048 9.7728 5.05869 6.67445 6.33431 numMergedOcc 0
18 mol 128 unq 0 iso 0 dist 8.81493 5.41268 9.05678 8.15593 7.14818 7.48321 numMergedOcc 0
19 mol 128 unq 1 iso 0 dist 6.49794 6.78058 9.05678 10.2851 7.14818 7.48321 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 7.90753 10.5065 9.2933 11.1087 5.10499 7.22883 numMergedOcc 0
21 mol 192 unq 0 iso 0 dist 8.27545 15.3045 8.14859 21.5528 14.4054 8.26288 numMergedOcc 0
22 mol 192 unq 1 iso 0 dist 8.27545 15.3045 8.14859 17.982 9.72372 6.60053 numMergedOcc 0
23 mol 192 unq 2 iso 0 dist 8.27545 11.5774 5.62421 17.982 9.72372 9.36796 numMergedOcc 0
24 mol 226 unq 0 iso 0 dist 8.29033 8.82367 6.45143 11.6867 4.66376 5.70795 numMergedOcc 0
25 mol 226 unq 1 iso 0 dist 5.44698 7.04199 6.45143 8.22952 4.66376 5.70795 numMergedOcc 0
26 mol 247 unq 0 iso 0 dist 6.97395 4.46 8.54404 5.18532 5.07285 8.45756 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 7.27283 6.33919 7.53905 10.358 5.01805 7.00243 numMergedOcc 0
28 mol 266 unq 1 iso 0 dist 8.35447 10.4141 7.53905 12.6827 5.01805 7.00243 numMergedOcc 0
