0 mol 9 unq 0 iso 0 dist 9.80484 7.032 8.11848 5.06358 13.8353 7.9944 numMergedOcc 0
1 mol 13 unq 0 iso 0 dist 8.47514 6.26071 6.34527 5.94592 10.1736 5.78148 numMergedOcc 0
2 mol 13 unq 1 iso 0 dist 8.47514 6.26071 6.34527 5.43688 7.39086 8.43325 numMergedOcc 0
3 mol 13 unq 2 iso 0 dist 7.39086 8.43325 6.34527 10.8906 10.1736 5.78148 numMergedOcc 0
4 mol 13 unq 3 iso 0 dist 7.39086 8.43325 6.34527 5.43688 8.47514 6.26071 numMergedOcc 0
5 mol 19 unq 0 iso 0 dist 6.50337 6.92532 13.3939 10.8007 16.4287 7.48847 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 6.50337 6.92532 13.3939 5.03957 9.57968 6.36455 numMergedOcc 0
7 mol 42 unq 0 iso 0 dist 9.97476 9.16649 6.99656 5.59383 10.9998 9.53458 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 9.89546 9.93832 9.01849 8.13395 14.792 8.60739 numMergedOcc 0
9 mol 43 unq 1 iso 0 dist 9.07906 8.60739 13.8877 8.13395 14.1869 9.93832 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 5.62694 8.85586 9.1484 8.07446 10.3686 5.16364 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 8.79811 6.28351 5.44624 7.15222 10.2865 5.49226 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 8.86966 8.28642 13.6807 7.65448 13.4958 9.77552 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 9.16817 7.24795 13.929 9.41955 16.6213 9.56197 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 9.16817 7.24795 13.929 13.684 20.8096 8.64409 numMergedOcc 0
15 mol 186 unq 2 iso 0 dist 9.16817 7.24795 13.929 9.45987 18.3134 7.60202 numMergedOcc 0
16 mol 229 unq 0 iso 0 dist 6.51465 8.19603 4.77424 15.7694 13.6805 8.92743 numMergedOcc 0
17 mol 229 unq 1 iso 0 dist 6.51465 8.19603 4.77424 11.3041 12.0766 8.08082 numMergedOcc 0
18 mol 229 unq 2 iso 0 dist 6.51465 8.19603 4.77424 9.96077 9.68456 5.77318 numMergedOcc 0
19 mol 240 unq 0 iso 0 dist 5.31041 9.47583 10.9678 4.28414 8.82226 8.44909 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 6.38733 7.50201 7.10224 6.0987 10.5963 6.53679 numMergedOcc 0
21 mol 252 unq 1 iso 0 dist 9.64349 7.50201 10.1113 6.0987 14.1962 6.53679 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 5.8473 8.15467 7.5992 4.26007 9.52439 9.1925 numMergedOcc 0
23 mol 258 unq 1 iso 0 dist 6.78929 8.15467 13.9021 4.26007 9.79245 9.1925 numMergedOcc 0
24 mol 258 unq 2 iso 0 dist 9.24076 7.93574 9.30243 5.30627 13.0195 7.86627 numMergedOcc 0
25 mol 261 unq 0 iso 0 dist 9.00426 5.26434 9.46424 7.00201 14.9571 8.60026 numMergedOcc 0
26 mol 261 unq 1 iso 0 dist 8.19348 5.26434 7.48263 7.00201 12.6716 8.60026 numMergedOcc 0
27 mol 278 unq 0 iso 0 dist 5.77089 7.67245 8.92664 5.74345 9.94654 9.12395 numMergedOcc 0
