0 mol 28 unq 0 iso 0 dist 9.32784 8.14466 7.43758 6.71823 9.86409 4.141 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.10681 5.27829 5.68877 13.9294 8.71284 9.52807 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 6.9327 8.53366 7.41011 6.26554 5.81645 10.0797 numMergedOcc 0
3 mol 44 unq 1 iso 0 dist 6.9327 8.53366 7.41011 4.39351 6.75026 6.29545 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 4.22514 10.5752 8.34361 9.72275 9.57335 14.9943 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 4.22514 10.5752 8.34361 9.53962 8.60653 11.5332 numMergedOcc 0
6 mol 54 unq 2 iso 0 dist 5.59179 6.11542 6.04354 7.21561 9.20373 12.2182 numMergedOcc 0
7 mol 61 unq 0 iso 0 dist 9.0081 9.35633 9.91313 5.3464 5.67362 11.5851 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 9.0584 16.82 8.04448 5.69409 9.40173 17.0849 numMergedOcc 0
9 mol 145 unq 0 iso 0 dist 9.82865 4.8733 9.03586 4.43728 9.73998 4.17909 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 7.10646 8.12353 6.64341 6.79948 8.06003 4.37504 numMergedOcc 0
11 mol 220 unq 1 iso 0 dist 7.10646 10.6332 7.31315 6.79948 8.06003 5.69801 numMergedOcc 0
12 mol 233 unq 0 iso 0 dist 8.25961 3.63541 7.44436 6.3638 8.76329 4.73615 numMergedOcc 0
13 mol 233 unq 1 iso 0 dist 8.25961 3.63541 7.44436 10.361 9.91906 7.68189 numMergedOcc 0
14 mol 241 unq 0 iso 0 dist 4.66398 5.06075 7.30582 9.28668 9.14228 10.7816 numMergedOcc 0
15 mol 241 unq 1 iso 0 dist 9.05448 11.2556 7.30582 13.7746 9.14228 10.7816 numMergedOcc 0
16 mol 257 unq 0 iso 0 dist 8.5835 12.1004 9.27027 10.6258 6.8256 12.4553 numMergedOcc 0
17 mol 257 unq 1 iso 0 dist 8.5835 11.3116 7.87058 10.6258 6.8256 3.63342 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 5.15432 9.33832 7.35799 4.51217 7.10052 8.34527 numMergedOcc 0
19 mol 279 unq 1 iso 0 dist 8.2375 13.7765 7.35799 7.77773 7.10052 8.34527 numMergedOcc 0
20 mol 279 unq 2 iso 0 dist 9.23951 11.1553 7.35799 4.85823 7.10052 8.34527 numMergedOcc 0
21 mol 280 unq 0 iso 0 dist 7.11605 4.35391 4.26671 9.27602 9.55885 8.48093 numMergedOcc 0
