0 mol 25 unq 0 iso 0 dist 7.0928 6.32132 5.04899 13.096 7.33728 7.45383 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 7.0928 6.32132 5.04899 12.7595 13.9331 9.01548 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.16827 12.092 6.20293 17.3778 8.38399 8.95682 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 7.51978 6.43082 6.83299 5.0478 4.29856 6.14538 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 7.67586 11.7065 7.71095 16.2522 9.64444 6.73347 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 8.97292 14.1347 7.71095 16.5767 9.64444 6.73347 numMergedOcc 0
6 mol 59 unq 2 iso 0 dist 6.85083 7.35881 7.17396 10.0261 6.90592 8.08618 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 8.22406 5.41023 9.64443 8.57012 13.3881 8.91313 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 8.22406 5.41023 9.64443 9.75945 5.90097 8.16392 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 5.09688 12.2879 7.47343 16.7381 12.2861 8.30845 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 20.207 15.5385 8.76378 numMergedOcc 0
11 mol 100 unq 2 iso 0 dist 9.26343 16.4386 7.47343 18.8617 12.2861 8.30845 numMergedOcc 0
12 mol 100 unq 3 iso 0 dist 9.26343 16.4386 7.47343 24.7909 15.5385 8.76378 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 8.32004 6.92096 9.87172 14.3225 10.9441 9.11344 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 8.14071 13.1328 5.83384 11.5412 4.55551 6.28565 numMergedOcc 0
15 mol 129 unq 1 iso 0 dist 8.14071 13.1328 5.83384 18.6468 10.5488 7.58957 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 6.38977 6.82985 8.40312 8.74658 7.7567 9.90168 numMergedOcc 0
17 mol 131 unq 1 iso 0 dist 9.69757 6.82985 7.12972 8.74658 8.23791 9.90168 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 6.99089 10.1742 6.54501 11.8229 5.71679 7.69991 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 6.99089 12.6542 6.49416 11.8229 5.71679 6.23142 numMergedOcc 0
20 mol 156 unq 0 iso 0 dist 7.80643 6.52984 7.44554 11.9646 5.71511 9.4013 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 6.07676 6.05039 8.03334 10.1342 7.81713 6.2479 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 6.96824 8.76337 7.63312 14.3125 12.5387 5.94469 numMergedOcc 0
23 mol 181 unq 2 iso 0 dist 9.25528 18.2027 9.1374 14.9122 6.6251 6.2479 numMergedOcc 0
24 mol 181 unq 3 iso 0 dist 9.25528 11.4901 5.98885 5.6688 5.6044 9.72611 numMergedOcc 0
25 mol 181 unq 4 iso 0 dist 9.25528 11.4901 5.98885 14.9122 6.6251 7.99195 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 8.03567 8.18892 9.70748 9.01369 5.4141 7.66165 numMergedOcc 0
27 mol 186 unq 1 iso 0 dist 8.03567 8.339 7.54065 10.1732 11.7429 8.73217 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 7.92766 7.58285 8.51516 6.21588 5.86489 7.32294 numMergedOcc 0
29 mol 205 unq 0 iso 0 dist 7.36642 9.43922 7.26832 14.5739 10.3603 5.44002 numMergedOcc 0
30 mol 210 unq 0 iso 0 dist 7.19917 9.55205 6.18308 10.1639 5.87279 7.10826 numMergedOcc 0
31 mol 222 unq 0 iso 0 dist 7.14277 4.02914 7.21333 10.6216 7.75656 7.67576 numMergedOcc 0
32 mol 222 unq 1 iso 0 dist 7.14277 4.02914 7.21333 12.8566 16.0949 9.82371 numMergedOcc 0
33 mol 227 unq 0 iso 0 dist 9.93154 6.78651 9.34734 5.87056 6.00424 7.43071 numMergedOcc 0
34 mol 227 unq 1 iso 0 dist 9.93154 6.78651 9.34734 9.84311 10.7656 5.41321 numMergedOcc 0
35 mol 227 unq 2 iso 0 dist 9.18218 6.78651 7.56888 5.87056 9.76735 7.43071 numMergedOcc 0
36 mol 227 unq 3 iso 0 dist 9.18218 6.78651 7.56888 9.84311 5.10635 5.41321 numMergedOcc 0
37 mol 227 unq 4 iso 0 dist 6.18486 6.78651 7.55216 5.87056 9.32448 7.43071 numMergedOcc 0
38 mol 227 unq 5 iso 0 dist 6.18486 6.78651 7.55216 9.84311 6.48027 5.41321 numMergedOcc 0
39 mol 231 unq 0 iso 0 dist 8.17766 11.3675 7.37839 14.0064 6.37275 6.98875 numMergedOcc 0
40 mol 231 unq 1 iso 0 dist 8.17766 12.5238 8.40182 14.0064 6.37275 6.54852 numMergedOcc 0
41 mol 231 unq 2 iso 0 dist 9.84965 14.0116 7.37839 15.6152 6.37275 6.98875 numMergedOcc 0
42 mol 231 unq 3 iso 0 dist 9.84965 16.7305 8.40182 15.6152 6.37275 6.54852 numMergedOcc 0
43 mol 239 unq 0 iso 0 dist 8.49673 6.10412 7.00034 13.4941 10.0842 9.01021 numMergedOcc 0
44 mol 241 unq 0 iso 0 dist 8.62971 4.99503 7.4631 10.8747 4.45049 7.89524 numMergedOcc 0
45 mol 261 unq 0 iso 0 dist 7.26647 9.29412 8.43057 12.7339 8.29908 8.43974 numMergedOcc 0
46 mol 261 unq 1 iso 0 dist 7.7309 9.29412 6.05727 12.7339 5.02383 8.43974 numMergedOcc 0
47 mol 282 unq 0 iso 0 dist 7.70229 8.93697 8.76532 12.9236 8.12478 9.0975 numMergedOcc 0
48 mol 282 unq 1 iso 0 dist 7.90792 8.93697 6.33524 12.9236 5.0324 9.0975 numMergedOcc 0
