0 mol 24 unq 0 iso 0 dist 7.40392 8.92687 8.4051 15.0861 15.5315 7.29868 16.8333 20.8959 13.719 9.75144 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.94828 15.5398 7.92503 15.0254 10.6808 8.6653 19.1591 16.7035 12.9735 7.685 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.90473 6.09666 7.36856 9.77906 7.96502 6.46104 10.7133 10.9838 4.98603 8.82012 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 9.81637 6.18332 5.93884 14.9123 5.30792 9.92355 18.1713 11.5023 12.0055 8.63333 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 9.81637 6.18332 5.93884 12.4928 4.81926 7.68678 18.1713 11.5023 12.0055 8.89374 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 4.68975 6.64576 5.83771 4.9155 5.79898 7.80532 13.386 12.0514 14.1488 8.6355 numMergedOcc 0
6 mol 181 unq 0 iso 0 dist 6.09874 5.06341 6.22122 12.9131 12.6324 7.99195 7.50476 10.3493 4.69841 7.20046 numMergedOcc 0
7 mol 181 unq 1 iso 0 dist 6.09874 5.06341 6.22122 12.9131 12.6324 7.99195 10.8166 13.1996 7.23063 7.13543 numMergedOcc 0
8 mol 195 unq 0 iso 0 dist 7.39185 6.35777 7.36683 14.8997 10.7531 9.26504 9.50065 9.36654 4.4994 8.36117 numMergedOcc 0
9 mol 195 unq 1 iso 0 dist 7.39185 6.35777 7.36683 14.8997 10.7531 9.26504 12.2958 11.955 5.99784 6.77578 numMergedOcc 0
10 mol 195 unq 2 iso 0 dist 4.78641 6.31156 7.36683 12.0897 10.7531 9.26504 7.08314 9.36654 4.4994 8.36117 numMergedOcc 0
11 mol 195 unq 3 iso 0 dist 4.78641 6.31156 7.36683 12.0897 10.7531 9.26504 11.4003 11.955 5.99784 6.77578 numMergedOcc 0
12 mol 213 unq 0 iso 0 dist 9.73691 10.1372 8.14332 11.9596 5.45334 7.73322 16.3686 11.5105 10.5013 6.0965 numMergedOcc 0
13 mol 213 unq 1 iso 0 dist 9.73691 10.1372 8.14332 11.9596 5.45334 7.73322 18.7497 13.8919 9.93085 9.59129 numMergedOcc 0
14 mol 235 unq 0 iso 0 dist 5.60236 5.86896 6.36341 11.2471 8.31875 6.21292 12.4324 10.4621 7.96337 5.65339 numMergedOcc 0
15 mol 235 unq 1 iso 0 dist 5.60236 5.86896 6.36341 13.8175 10.5547 9.21736 22.8602 19.8728 17.5445 9.43058 numMergedOcc 0
16 mol 235 unq 2 iso 0 dist 9.03917 4.88651 6.36341 6.56775 8.31875 6.21292 4.25998 10.4621 7.96337 5.65339 numMergedOcc 0
17 mol 235 unq 3 iso 0 dist 9.03917 4.88651 6.36341 10.8773 10.5547 9.21736 17.7548 19.8728 17.5445 9.43058 numMergedOcc 0
18 mol 235 unq 4 iso 0 dist 6.56775 4.88651 6.21292 10.8773 4.53064 9.21736 17.7548 12.3562 17.5445 9.43058 numMergedOcc 0
19 mol 235 unq 5 iso 0 dist 6.56775 6.99274 6.95126 14.469 9.89669 9.55668 17.7548 12.3562 13.128 9.58736 numMergedOcc 0
20 mol 235 unq 6 iso 0 dist 7.8128 12.5723 9.55668 15.0268 9.89669 6.95126 15.7665 10.7117 4.29892 5.65339 numMergedOcc 0
21 mol 284 unq 0 iso 0 dist 9.98268 4.58432 9.33437 6.83147 5.87439 7.8343 8.84794 10.0956 5.39591 8.41504 numMergedOcc 0
