0 mol 43 unq 0 iso 0 dist 9.16827 12.092 6.20293 7.23774 5.73819 5.06502 17.3778 8.38399 8.95682 12.3649 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.16827 12.092 6.20293 10.7423 8.93915 6.45462 17.3778 8.38399 8.95682 14.3789 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 7.51978 6.43082 6.83299 10.6355 9.5589 5.08001 5.0478 4.29856 6.14538 10.6808 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 7.51978 6.43082 6.83299 11.7347 8.10861 14.2075 5.0478 4.29856 6.14538 10.4158 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 7.67586 11.7065 7.71095 5.03832 6.85766 10.0246 16.2522 9.64444 6.73347 14.8852 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 8.97292 14.1347 7.71095 7.2878 6.85766 10.0246 16.5767 9.64444 6.73347 14.8852 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 5.09688 12.2879 7.47343 9.65979 6.45675 5.33144 16.7381 12.2861 8.30845 10.6086 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 9.65979 6.45675 5.33144 20.207 15.5385 8.76378 13.2102 numMergedOcc 0
8 mol 100 unq 2 iso 0 dist 5.09688 12.2879 7.47343 10.2364 8.86688 10.1407 16.7381 12.2861 8.30845 18.1777 numMergedOcc 0
9 mol 100 unq 3 iso 0 dist 5.09688 12.2879 7.47343 10.2364 8.86688 10.1407 20.207 15.5385 8.76378 14.0386 numMergedOcc 0
10 mol 100 unq 4 iso 0 dist 9.26343 16.4386 7.47343 13.666 6.45675 5.33144 18.8617 12.2861 8.30845 10.6086 numMergedOcc 0
11 mol 100 unq 5 iso 0 dist 9.26343 16.4386 7.47343 13.666 6.45675 5.33144 24.7909 15.5385 8.76378 13.2102 numMergedOcc 0
12 mol 100 unq 6 iso 0 dist 9.26343 16.4386 7.47343 15.5646 8.86688 10.1407 18.8617 12.2861 8.30845 18.1777 numMergedOcc 0
13 mol 100 unq 7 iso 0 dist 9.26343 16.4386 7.47343 15.5646 8.86688 10.1407 24.7909 15.5385 8.76378 14.0386 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 6.99089 10.1742 6.54501 12.6542 6.49416 5.00526 11.8229 5.71679 7.69991 6.23142 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 6.99089 12.6542 6.49416 10.1742 6.54501 5.00526 11.8229 5.71679 6.23142 7.69991 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.25528 18.2027 9.1374 11.4901 5.98885 8.88798 14.9122 6.6251 6.2479 7.99195 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 9.25528 18.2027 9.1374 11.9545 9.15386 12.1628 14.9122 6.6251 6.2479 12.8533 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 9.25528 11.4901 5.98885 18.2027 9.1374 8.88798 5.6688 5.6044 9.72611 14.2254 numMergedOcc 0
19 mol 181 unq 3 iso 0 dist 9.25528 11.4901 5.98885 18.2027 9.1374 8.88798 14.9122 6.6251 7.99195 6.2479 numMergedOcc 0
20 mol 181 unq 4 iso 0 dist 9.25528 11.4901 5.98885 11.9545 9.15386 5.16002 5.6688 5.6044 9.72611 10.428 numMergedOcc 0
21 mol 181 unq 5 iso 0 dist 9.25528 11.4901 5.98885 11.9545 9.15386 5.16002 14.9122 6.6251 7.99195 12.8533 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 8.03567 8.18892 9.70748 8.339 7.54065 13.8792 9.01369 5.4141 7.66165 12.4002 numMergedOcc 0
23 mol 186 unq 1 iso 0 dist 8.03567 8.18892 9.70748 12.2966 8.87694 14.9058 9.01369 5.4141 7.66165 14.0016 numMergedOcc 0
24 mol 186 unq 2 iso 0 dist 8.03567 8.339 7.54065 8.18892 9.70748 13.8792 10.1732 11.7429 8.73217 17.7621 numMergedOcc 0
25 mol 186 unq 3 iso 0 dist 8.03567 8.339 7.54065 12.2966 8.87694 5.74635 10.1732 11.7429 8.73217 14.2425 numMergedOcc 0
26 mol 204 unq 0 iso 0 dist 7.92766 7.58285 8.51516 14.0488 7.10633 10.8344 6.21588 5.86489 7.32294 11.5776 numMergedOcc 0
27 mol 205 unq 0 iso 0 dist 7.36642 9.43922 7.26832 4.87114 6.03031 7.38516 14.5739 10.3603 5.44002 12.3113 numMergedOcc 0
28 mol 205 unq 1 iso 0 dist 7.36642 9.43922 7.26832 6.98312 7.80463 13.8543 14.5739 10.3603 5.44002 17.9798 numMergedOcc 0
29 mol 231 unq 0 iso 0 dist 8.17766 11.3675 7.37839 12.5238 8.40182 4.06055 14.0064 6.37275 6.98875 6.54852 numMergedOcc 0
30 mol 231 unq 1 iso 0 dist 8.17766 12.5238 8.40182 11.3675 7.37839 4.06055 14.0064 6.37275 6.54852 6.98875 numMergedOcc 0
31 mol 231 unq 2 iso 0 dist 9.84965 14.0116 7.37839 16.7305 8.40182 4.06055 15.6152 6.37275 6.98875 6.54852 numMergedOcc 0
32 mol 231 unq 3 iso 0 dist 9.84965 16.7305 8.40182 14.0116 7.37839 4.06055 15.6152 6.37275 6.54852 6.98875 numMergedOcc 0
33 mol 261 unq 0 iso 0 dist 7.26647 9.29412 8.43057 4.95196 7.73141 10.1239 12.7339 8.29908 8.43974 14.8495 numMergedOcc 0
