0 mol 26 unq 0 iso 0 dist 7.10804 14.4334 8.65828 13.0095 9.97152 5.90446 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 7.10804 14.4334 8.65828 10.5865 9.03539 13.4501 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 7.10804 14.4334 8.65828 11.4591 8.74037 6.45037 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 8.64424 8.23892 8.65828 9.23049 9.97152 5.90446 numMergedOcc 0
4 mol 26 unq 4 iso 0 dist 8.64424 8.23892 8.65828 17.2516 9.03539 13.4501 numMergedOcc 0
5 mol 26 unq 5 iso 0 dist 8.64424 8.23892 8.65828 12.0994 8.74037 6.45037 numMergedOcc 0
6 mol 37 unq 0 iso 0 dist 7.47638 4.87451 6.84257 15.2001 9.98549 14.1513 numMergedOcc 0
7 mol 37 unq 1 iso 0 dist 7.47638 12.8406 9.21102 15.2001 9.98549 10.9726 numMergedOcc 0
8 mol 39 unq 0 iso 0 dist 7.95922 6.01377 8.86053 6.73466 7.54441 4.40395 numMergedOcc 0
9 mol 39 unq 1 iso 0 dist 7.95922 6.01377 8.86053 8.58221 9.84326 10.026 numMergedOcc 0
10 mol 39 unq 2 iso 0 dist 7.95922 11.0291 8.76925 6.73466 7.54441 5.93243 numMergedOcc 0
11 mol 39 unq 3 iso 0 dist 7.95922 11.0291 8.76925 8.58221 9.84326 5.03446 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 4.22514 4.11549 6.29755 6.2425 8.41365 10.1493 numMergedOcc 0
13 mol 54 unq 1 iso 0 dist 4.22514 8.12687 7.4038 6.2425 8.41365 14.043 numMergedOcc 0
14 mol 61 unq 0 iso 0 dist 9.0081 7.96488 7.77128 9.66129 8.68888 4.51374 numMergedOcc 0
15 mol 99 unq 0 iso 0 dist 8.6659 6.39308 9.39801 4.54208 8.86001 9.40959 numMergedOcc 0
16 mol 99 unq 1 iso 0 dist 8.6659 6.04335 4.82346 4.54208 8.86001 6.83905 numMergedOcc 0
17 mol 99 unq 2 iso 0 dist 8.6659 6.13115 8.89165 4.54208 8.86001 8.5835 numMergedOcc 0
18 mol 99 unq 3 iso 0 dist 8.4731 6.39308 6.02154 4.54208 9.36749 9.40959 numMergedOcc 0
19 mol 99 unq 4 iso 0 dist 8.4731 6.04335 8.07233 4.54208 9.36749 6.83905 numMergedOcc 0
20 mol 105 unq 0 iso 0 dist 5.36878 7.72197 9.96269 4.39332 6.13301 4.27067 numMergedOcc 0
21 mol 114 unq 0 iso 0 dist 6.56066 12.0473 8.75093 7.99224 8.90311 16.5867 numMergedOcc 0
22 mol 140 unq 0 iso 0 dist 8.6371 4.46614 6.55217 11.324 6.29125 10.9472 numMergedOcc 0
23 mol 140 unq 1 iso 0 dist 8.6371 4.74205 7.21686 11.324 6.29125 8.08387 numMergedOcc 0
24 mol 141 unq 0 iso 0 dist 5.50402 9.75267 9.49584 4.58314 8.10681 13.5737 numMergedOcc 0
25 mol 141 unq 1 iso 0 dist 5.50402 9.75267 9.49584 4.71444 4.69823 6.76263 numMergedOcc 0
26 mol 151 unq 0 iso 0 dist 8.70668 10.3714 7.93343 11.3404 7.48309 11.1953 numMergedOcc 0
27 mol 151 unq 1 iso 0 dist 8.70668 8.25671 5.89468 11.3404 7.48309 11.9263 numMergedOcc 0
28 mol 154 unq 0 iso 0 dist 9.17333 11.7447 4.62366 6.17464 9.39643 11.8723 numMergedOcc 0
29 mol 172 unq 0 iso 0 dist 9.40213 11.0444 5.28889 8.5759 8.52605 13.0424 numMergedOcc 0
30 mol 172 unq 1 iso 0 dist 9.40213 9.70426 4.90175 8.5759 8.52605 4.71027 numMergedOcc 0
31 mol 172 unq 2 iso 0 dist 8.75042 7.0455 5.28889 14.45 8.52605 13.0424 numMergedOcc 0
32 mol 172 unq 3 iso 0 dist 8.75042 12.33 4.90175 14.45 8.52605 4.71027 numMergedOcc 0
33 mol 184 unq 0 iso 0 dist 8.45309 4.62365 8.49577 9.12667 7.95111 5.81835 numMergedOcc 0
34 mol 193 unq 0 iso 0 dist 7.13192 3.79373 7.71716 9.03624 9.42057 11.453 numMergedOcc 0
35 mol 203 unq 0 iso 0 dist 9.5818 4.90371 7.72498 7.41365 9.47629 5.30867 numMergedOcc 0
36 mol 204 unq 0 iso 0 dist 9.69695 11.335 8.59787 6.27504 5.37579 6.21345 numMergedOcc 0
37 mol 204 unq 1 iso 0 dist 8.18287 5.31923 8.59787 6.67807 5.37579 6.21345 numMergedOcc 0
38 mol 239 unq 0 iso 0 dist 9.85256 4.72952 7.80073 6.19462 9.10967 4.81796 numMergedOcc 0
39 mol 258 unq 0 iso 0 dist 7.96325 14.2761 9.53832 10.6494 9.11168 7.16525 numMergedOcc 0
40 mol 279 unq 0 iso 0 dist 5.15432 9.70626 8.51994 9.40437 8.46687 9.01973 numMergedOcc 0
41 mol 279 unq 1 iso 0 dist 8.2375 4.37055 8.51994 10.9253 8.46687 9.01973 numMergedOcc 0
42 mol 279 unq 2 iso 0 dist 9.23951 5.46911 8.51994 6.4164 8.46687 9.01973 numMergedOcc 0
