0 mol 18 unq 0 iso 0 dist 6.60128 6.45965 10.8382 4.86477 7.30231 6.09533 10.4274 11.7921 7.9504 5.816 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 6.74134 7.98824 3.80683 9.38492 9.06957 12.6801 5.09183 8.09587 7.25561 12.7617 numMergedOcc 0
2 mol 76 unq 1 iso 0 dist 6.74134 9.42329 6.77296 9.38492 9.06957 15.5099 5.09183 8.09587 8.97499 12.7617 numMergedOcc 0
3 mol 169 unq 0 iso 0 dist 7.642 8.11268 11.2473 5.73931 6.18165 10.9108 8.68968 11.1909 8.18148 13.4263 numMergedOcc 0
4 mol 186 unq 0 iso 0 dist 5.97162 9.51189 6.59916 8.81652 8.94445 14.1367 6.78172 7.17789 5.31333 14.3694 numMergedOcc 0
5 mol 220 unq 0 iso 0 dist 7.30288 4.17978 6.85536 5.11797 9.54857 9.19289 6.21026 12.9449 8.65468 6.89667 numMergedOcc 0
6 mol 220 unq 1 iso 0 dist 7.30288 4.17978 6.85536 5.32983 8.73456 8.60252 6.21026 12.9449 8.65468 6.60058 numMergedOcc 0
7 mol 236 unq 0 iso 0 dist 6.35418 6.54859 7.34037 12.1646 8.32786 11.2757 7.55924 6.25412 9.26313 5.50882 numMergedOcc 0
8 mol 236 unq 1 iso 0 dist 6.35418 6.54859 7.34037 3.2549 5.09952 8.69334 7.55924 6.25412 9.26313 7.27142 numMergedOcc 0
9 mol 260 unq 0 iso 0 dist 7.5129 7.90537 11.113 12.1108 7.13397 17.4567 6.39739 5.16772 8.55211 11.9315 numMergedOcc 0
10 mol 260 unq 1 iso 0 dist 7.5129 7.90537 11.113 12.1108 7.13397 17.4567 4.9453 12.3287 8.44162 16.8644 numMergedOcc 0
11 mol 260 unq 2 iso 0 dist 7.5129 7.90537 11.113 12.7836 5.33278 14.7696 6.39739 5.16772 8.55211 8.79837 numMergedOcc 0
12 mol 260 unq 3 iso 0 dist 7.5129 7.90537 11.113 12.7836 5.33278 14.7696 4.9453 12.3287 8.44162 17.4903 numMergedOcc 0
13 mol 287 unq 0 iso 0 dist 9.1299 8.35178 8.5724 11.9069 7.96707 15.74 10.4062 12.9932 6.76192 19.053 numMergedOcc 0
14 mol 288 unq 0 iso 0 dist 9.1299 8.35178 8.5724 11.9069 7.96707 15.74 10.4062 12.9932 6.76192 19.053 numMergedOcc 0
15 mol 289 unq 0 iso 0 dist 9.1299 8.35178 8.5724 11.9069 7.96707 15.74 10.4062 12.9932 6.76192 19.053 numMergedOcc 0
