0 mol 24 unq 0 iso 0 dist 8.13365 8.12171 6.66749 4.09817 10.2862 9.85784 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.13365 8.12171 6.66749 7.1305 11.825 9.87996 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 9.95691 9.3341 11.5992 9.27285 13.3786 8.70598 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 7.63534 9.2958 6.45686 10.4541 9.85905 7.46095 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 7.79726 6.9297 6.79583 3.89377 9.76379 7.43127 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 6.91417 5.45873 9.13283 10.5022 14.2504 8.77355 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 6.5258 5.93497 5.76098 4.03471 4.22363 5.36587 numMergedOcc 0
7 mol 181 unq 0 iso 0 dist 6.43406 9.0234 7.77758 9.78848 9.81178 8.06308 numMergedOcc 0
8 mol 204 unq 0 iso 0 dist 6.73266 9.639 5.86489 13.3588 7.9133 9.48625 numMergedOcc 0
9 mol 234 unq 0 iso 0 dist 4.91961 9.33455 10.0059 4.84686 7.81215 7.77911 numMergedOcc 0
10 mol 234 unq 1 iso 0 dist 7.14333 9.33455 5.08515 4.84686 5.64285 7.77911 numMergedOcc 0
11 mol 239 unq 0 iso 0 dist 6.92721 9.26512 11.169 3.45727 6.73665 8.95511 numMergedOcc 0
12 mol 239 unq 1 iso 0 dist 6.92721 5.82804 5.88931 3.45727 6.73665 5.85002 numMergedOcc 0
13 mol 267 unq 0 iso 0 dist 6.19138 6.55433 8.37094 6.43871 7.34981 6.27154 numMergedOcc 0
14 mol 277 unq 0 iso 0 dist 9.64889 9.7625 7.70529 15.23 8.9682 9.26157 numMergedOcc 0
15 mol 278 unq 0 iso 0 dist 9.30751 9.62872 7.89642 15.8802 14.1617 7.67837 numMergedOcc 0
16 mol 282 unq 0 iso 0 dist 7.34596 9.88071 8.2662 9.6232 14.1 9.38222 numMergedOcc 0
17 mol 282 unq 1 iso 0 dist 7.12228 9.88071 6.6348 9.6232 12.2771 9.38222 numMergedOcc 0
