0 mol 16 unq 0 iso 0 dist 6.68517 10.1407 8.47315 5.1333 6.72833 12.1062 11.9541 10.4852 16.8248 6.93532 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 9.81637 4.95437 7.84983 6.18332 5.93884 6.64072 14.9123 5.30792 12.9335 9.92355 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 9.81637 4.95437 7.84983 6.18332 5.93884 6.64072 12.4928 4.81926 9.56737 7.68678 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 9.96446 14.2688 7.86724 15.5614 8.18107 6.04547 6.70686 5.04493 10.6665 9.8859 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 9.96446 14.2688 7.86724 8.51558 5.9465 5.97684 6.70686 5.04493 10.6665 6.97962 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 9.96446 14.2688 7.86724 8.51558 5.9465 5.97684 13.1422 9.35561 12.4378 9.95342 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 9.50575 9.78923 6.7225 13.4067 6.92026 6.39438 12.88 6.5838 10.2695 5.88249 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 9.50575 9.78923 6.7225 13.4067 6.92026 6.39438 18.2151 10.5564 13.1517 6.97707 numMergedOcc 0
8 mol 115 unq 2 iso 0 dist 8.43116 7.46653 6.7225 5.19545 6.92026 6.39438 6.23645 6.5838 10.2695 5.88249 numMergedOcc 0
9 mol 115 unq 3 iso 0 dist 8.43116 7.46653 6.7225 5.19545 6.92026 6.39438 9.62812 10.5564 13.1517 6.97707 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 4.68975 8.95641 7.78849 6.64576 5.83771 4.15314 4.9155 5.79898 11.4625 7.80532 numMergedOcc 0
11 mol 196 unq 0 iso 0 dist 9.36732 7.21567 6.76923 9.71153 6.86319 9.91514 14.7113 10.2747 15.6936 6.70531 numMergedOcc 0
12 mol 213 unq 0 iso 0 dist 9.73691 11.0017 4.58599 10.1372 8.14332 11.5146 11.9596 5.45334 9.94786 7.73322 numMergedOcc 0
13 mol 213 unq 1 iso 0 dist 9.73691 10.4464 8.78568 10.1372 8.14332 10.693 11.9596 5.45334 13.5801 7.73322 numMergedOcc 0
14 mol 235 unq 0 iso 0 dist 5.60236 7.33514 9.71281 5.86896 6.36341 6.18998 11.2471 8.31875 10.7398 6.21292 numMergedOcc 0
15 mol 235 unq 1 iso 0 dist 5.60236 7.33514 9.71281 5.86896 6.36341 6.18998 13.8175 10.5547 11.491 9.21736 numMergedOcc 0
16 mol 235 unq 2 iso 0 dist 9.03917 10.7399 9.71281 4.88651 6.36341 6.18998 6.56775 8.31875 10.7398 6.21292 numMergedOcc 0
17 mol 235 unq 3 iso 0 dist 9.03917 10.7399 9.71281 4.88651 6.36341 6.18998 10.8773 10.5547 11.491 9.21736 numMergedOcc 0
18 mol 278 unq 0 iso 0 dist 9.91518 5.49004 9.82774 11.8916 8.00673 11.9007 14.371 8.29447 15.9748 6.62841 numMergedOcc 0
19 mol 284 unq 0 iso 0 dist 9.98268 8.92414 8.27793 4.58432 9.33437 6.96183 6.83147 5.87439 10.8451 7.8343 numMergedOcc 0
