0 mol 24 unq 0 iso 0 dist 7.79911 7.42417 5.9372 16.4556 13.9367 9.73647 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 7.79911 7.42417 5.9372 12.8618 5.95865 7.26334 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 7.79911 7.42417 5.9372 6.54508 3.33439 5.78532 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 7.79911 10.5851 6.93597 12.8618 5.95865 6.19899 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 7.79911 10.5851 6.93597 6.54508 3.33439 8.49709 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 8.6586 12.1061 7.85986 16.6394 9.24731 6.61696 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 8.6586 12.1061 7.85986 13.8227 11.1587 5.80953 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 9.34271 18.5144 9.38538 18.905 11.3568 8.65144 numMergedOcc 0
8 mol 59 unq 1 iso 0 dist 8.69574 10.8667 9.38538 17.5126 11.3568 8.65144 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 7.06029 6.04435 6.86517 9.55191 5.9297 7.43127 numMergedOcc 0
10 mol 79 unq 1 iso 0 dist 7.06029 12.3232 8.33791 17.8562 11.4347 9.09458 numMergedOcc 0
11 mol 83 unq 0 iso 0 dist 9.94528 10.4266 8.99451 15.4682 6.187 9.95355 numMergedOcc 0
12 mol 83 unq 1 iso 0 dist 9.94528 10.4266 8.99451 12.7092 3.31218 9.69913 numMergedOcc 0
13 mol 83 unq 2 iso 0 dist 8.94777 7.34738 8.99451 12.8682 6.187 9.95355 numMergedOcc 0
14 mol 83 unq 3 iso 0 dist 8.94777 7.34738 8.99451 10.3095 3.31218 9.69913 numMergedOcc 0
15 mol 83 unq 4 iso 0 dist 9.47551 15.2006 8.99451 14.4355 6.187 9.95355 numMergedOcc 0
16 mol 83 unq 5 iso 0 dist 9.47551 15.2006 8.99451 12.4838 3.31218 9.69913 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 8.23055 7.47544 8.43964 10.9102 7.35325 8.98912 numMergedOcc 0
18 mol 92 unq 1 iso 0 dist 8.30746 4.16536 8.43964 9.54368 7.35325 8.98912 numMergedOcc 0
19 mol 92 unq 2 iso 0 dist 8.14427 15.7834 9.69694 14.672 8.74506 6.59716 numMergedOcc 0
20 mol 92 unq 3 iso 0 dist 8.14427 15.7834 9.69694 9.43496 3.70642 6.87506 numMergedOcc 0
21 mol 169 unq 0 iso 0 dist 9.58901 9.12553 5.41121 13.7802 13.5169 9.15283 numMergedOcc 0
22 mol 169 unq 1 iso 0 dist 7.50458 8.92988 7.85698 10.7137 12.6492 6.0859 numMergedOcc 0
23 mol 169 unq 2 iso 0 dist 7.50458 8.92988 7.85698 12.2994 13.7198 6.05009 numMergedOcc 0
24 mol 169 unq 3 iso 0 dist 7.50458 10.711 6.35799 10.7137 12.6492 9.15283 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 9.14525 6.24225 9.31569 12.7805 11.6544 8.92115 numMergedOcc 0
26 mol 186 unq 1 iso 0 dist 9.14525 10.7353 8.72743 12.6102 3.60793 9.45907 numMergedOcc 0
27 mol 186 unq 2 iso 0 dist 6.99587 6.33168 7.37629 9.18289 4.97041 6.56416 numMergedOcc 0
28 mol 186 unq 3 iso 0 dist 6.99587 6.33168 7.37629 6.52441 4.75583 6.88127 numMergedOcc 0
29 mol 186 unq 4 iso 0 dist 4.37577 6.33168 5.68985 9.18289 6.50779 6.56416 numMergedOcc 0
30 mol 186 unq 5 iso 0 dist 4.37577 6.33168 5.68985 6.52441 3.11607 6.88127 numMergedOcc 0
31 mol 188 unq 0 iso 0 dist 8.85223 5.15888 8.34477 7.6482 3.42559 8.66624 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 8.25174 6.34004 7.24614 9.86678 3.41783 9.03328 numMergedOcc 0
33 mol 205 unq 1 iso 0 dist 9.16671 6.88779 7.24614 12.061 3.41783 9.03328 numMergedOcc 0
34 mol 235 unq 0 iso 0 dist 9.82099 4.32578 7.26232 5.39924 14.4239 7.39085 numMergedOcc 0
35 mol 244 unq 0 iso 0 dist 5.16859 4.38246 6.10489 9.13494 7.28456 6.53416 numMergedOcc 0
36 mol 244 unq 1 iso 0 dist 4.79207 4.38246 4.4204 9.13494 5.39452 6.53416 numMergedOcc 0
37 mol 258 unq 0 iso 0 dist 9.60767 7.82775 7.08328 12.999 6.41309 7.95464 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 9.82713 5.15747 8.09181 4.97796 10.6981 8.60027 numMergedOcc 0
