0 mol 0 unq 0 iso 0 dist 7.79297 11.9798 8.82102 16.4903 9.19007 12.7597 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.79297 11.9798 8.82102 13.9134 9.56794 10.9048 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 5.84326 4.88072 6.80741 8.45716 8.63486 4.7418 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 9.23803 5.20171 9.74643 9.05816 8.89913 10.6546 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 6.34542 11.5209 8.42147 6.40295 7.71107 7.13575 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 6.71345 5.67441 8.42445 6.51881 6.34525 10.9798 numMergedOcc 0
6 mol 142 unq 0 iso 0 dist 8.86346 7.25495 7.57458 7.78477 9.17106 9.05212 numMergedOcc 0
7 mol 142 unq 1 iso 0 dist 4.93681 5.20379 7.57458 6.74129 9.17106 9.05212 numMergedOcc 0
8 mol 178 unq 0 iso 0 dist 8.04723 6.1397 8.0974 5.24118 4.92088 5.49143 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 9.52413 4.62432 7.66381 12.1191 9.83476 12.2047 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 9.52413 4.62432 7.66381 10.0766 6.258 5.77691 numMergedOcc 0
11 mol 188 unq 0 iso 0 dist 7.24099 5.13959 9.24118 6.77718 8.57261 11.8438 numMergedOcc 0
12 mol 210 unq 0 iso 0 dist 8.58471 15.9233 9.67457 5.35708 5.37446 13.9851 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 8.14644 14.5536 7.31105 6.53366 5.45036 12.6425 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 8.14644 14.5536 7.31105 9.80599 9.97586 12.3625 numMergedOcc 0
15 mol 235 unq 0 iso 0 dist 5.60236 7.33514 9.71281 6.49782 6.39158 6.09244 numMergedOcc 0
16 mol 235 unq 1 iso 0 dist 9.03917 10.7399 9.71281 12.526 6.39158 6.09244 numMergedOcc 0
17 mol 274 unq 0 iso 0 dist 9.13226 11.0263 9.696 12.9095 9.56685 16.1684 numMergedOcc 0
18 mol 274 unq 1 iso 0 dist 9.13226 11.0263 9.696 16.3353 8.49922 16.3319 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 7.151 13.1772 9.98528 6.63088 6.57903 7.01469 numMergedOcc 0
20 mol 277 unq 1 iso 0 dist 8.33977 17.7336 9.98528 14.3997 6.57903 7.01469 numMergedOcc 0
21 mol 285 unq 0 iso 0 dist 9.82717 14.401 8.71213 10.0774 5.31728 6.93502 numMergedOcc 0
22 mol 285 unq 1 iso 0 dist 8.33653 8.64319 8.71213 10.471 5.31728 6.93502 numMergedOcc 0
23 mol 285 unq 2 iso 0 dist 6.44657 14.1417 8.71213 10.8587 5.31728 6.93502 numMergedOcc 0
