0 mol 28 unq 0 iso 0 dist 9.32784 8.14466 7.43758 6.71823 9.86409 4.141 10.9344 5.75809 5.35996 7.57437 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.10681 5.27829 5.68877 13.9294 8.71284 9.52807 8.3237 9.36493 5.22301 7.83556 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 9.10681 5.27829 5.68877 13.9294 8.71284 9.52807 11.3659 9.0665 9.36704 6.59793 numMergedOcc 0
3 mol 34 unq 2 iso 0 dist 9.10681 5.27829 5.68877 13.9294 8.71284 9.52807 15.0854 7.07773 12.1168 9.10687 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 6.9327 8.53366 7.41011 6.26554 5.81645 10.0797 9.16104 9.80946 3.76713 12.6428 numMergedOcc 0
5 mol 44 unq 1 iso 0 dist 6.9327 8.53366 7.41011 4.39351 6.75026 6.29545 9.16104 9.80946 3.76713 8.28169 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 4.22514 10.5752 8.34361 9.72275 9.57335 14.9943 11.8083 9.63616 2.97898 17.4558 numMergedOcc 0
7 mol 54 unq 1 iso 0 dist 4.22514 10.5752 8.34361 9.53962 8.60653 11.5332 11.8083 9.63616 2.97898 14.2852 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 9.0584 16.82 8.04448 5.69409 9.40173 17.0849 9.40876 5.24616 9.39313 10.256 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 7.10646 8.12353 6.64341 6.79948 8.06003 4.37504 9.35225 5.04072 8.85684 8.44353 numMergedOcc 0
10 mol 220 unq 1 iso 0 dist 7.10646 8.12353 6.64341 6.79948 8.06003 4.37504 3.95521 8.67956 6.43635 3.95528 numMergedOcc 0
11 mol 220 unq 2 iso 0 dist 7.10646 10.6332 7.31315 6.79948 8.06003 5.69801 9.35225 5.04072 7.67001 8.44353 numMergedOcc 0
12 mol 220 unq 3 iso 0 dist 7.10646 10.6332 7.31315 6.79948 8.06003 5.69801 3.95521 8.67956 9.04953 3.95528 numMergedOcc 0
13 mol 233 unq 0 iso 0 dist 8.25961 3.63541 7.44436 6.3638 8.76329 4.73615 6.41178 5.22629 3.4982 5.24709 numMergedOcc 0
14 mol 233 unq 1 iso 0 dist 8.25961 3.63541 7.44436 10.361 9.91906 7.68189 6.41178 5.22629 3.4982 6.28883 numMergedOcc 0
15 mol 241 unq 0 iso 0 dist 4.66398 5.06075 7.30582 9.28668 9.14228 10.7816 11.3639 9.87415 8.48642 16.0653 numMergedOcc 0
16 mol 241 unq 1 iso 0 dist 9.05448 11.2556 7.30582 13.7746 9.14228 10.7816 6.51662 9.87415 8.48642 16.0653 numMergedOcc 0
17 mol 257 unq 0 iso 0 dist 8.5835 12.1004 9.27027 10.6258 6.8256 12.4553 3.41163 8.81508 11.7751 8.63927 numMergedOcc 0
18 mol 257 unq 1 iso 0 dist 8.5835 11.3116 7.87058 10.6258 6.8256 3.63342 3.41163 8.81508 8.91326 8.63927 numMergedOcc 0
19 mol 279 unq 0 iso 0 dist 5.15432 9.33832 7.35799 4.51217 7.10052 8.34527 3.75969 5.76793 11.2104 5.21917 numMergedOcc 0
20 mol 279 unq 1 iso 0 dist 5.15432 9.33832 7.35799 4.51217 7.10052 8.34527 11.1754 7.72276 9.14234 9.79726 numMergedOcc 0
21 mol 279 unq 2 iso 0 dist 8.2375 13.7765 7.35799 7.77773 7.10052 8.34527 3.72823 5.76793 11.2104 5.21917 numMergedOcc 0
22 mol 279 unq 3 iso 0 dist 8.2375 13.7765 7.35799 7.77773 7.10052 8.34527 9.62805 7.72276 9.14234 9.79726 numMergedOcc 0
23 mol 279 unq 4 iso 0 dist 9.23951 11.1553 7.35799 4.85823 7.10052 8.34527 6.22298 5.76793 11.2104 5.21917 numMergedOcc 0
24 mol 279 unq 5 iso 0 dist 9.23951 11.1553 7.35799 4.85823 7.10052 8.34527 8.30922 7.72276 9.14234 9.79726 numMergedOcc 0
