0 mol 54 unq 0 iso 0 dist 6.46263 7.51978 9.65953 13.323 14.9382 6.59893 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 6.46263 7.51978 9.65953 10.6593 10.3665 5.59773 numMergedOcc 0
2 mol 89 unq 0 iso 0 dist 9.48877 8.25651 10.5017 7.94744 14.9946 6.36021 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 9.90038 9.91446 11.7157 11.6391 18.0653 7.88564 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 9.90038 9.91446 11.7157 8.46662 12.0634 6.78459 numMergedOcc 0
5 mol 110 unq 0 iso 0 dist 8.74224 6.59361 4.65767 6.82715 7.1891 5.25492 numMergedOcc 0
6 mol 110 unq 1 iso 0 dist 5.33139 6.59361 5.33778 6.82715 7.67702 5.25492 numMergedOcc 0
7 mol 125 unq 0 iso 0 dist 9.06392 8.38646 16.5045 9.972 18.1494 8.84867 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 7.65424 4.93035 4.93029 3.71857 7.97262 6.42756 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 6.71654 4.93035 4.37081 3.71857 5.82588 6.42756 numMergedOcc 0
10 mol 176 unq 0 iso 0 dist 9.67515 4.96326 9.5735 12.8098 17.497 9.03194 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 8.46429 5.63906 7.37734 9.72967 14.4829 7.66381 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 7.24101 7.13194 5.88384 8.83643 10.9762 9.31417 numMergedOcc 0
13 mol 238 unq 1 iso 0 dist 7.24101 7.13194 5.88384 4.55701 6.86905 5.56719 numMergedOcc 0
14 mol 249 unq 0 iso 0 dist 8.84212 6.93507 5.0425 6.06312 8.9281 5.78121 numMergedOcc 0
15 mol 249 unq 1 iso 0 dist 8.84212 6.42827 12.6924 6.06312 8.9281 7.29898 numMergedOcc 0
16 mol 249 unq 2 iso 0 dist 8.84212 6.42827 12.6924 10.3054 14.0267 8.91685 numMergedOcc 0
17 mol 249 unq 3 iso 0 dist 7.10933 6.93507 6.45919 6.06312 10.4945 5.78121 numMergedOcc 0
18 mol 249 unq 4 iso 0 dist 7.10933 6.42827 8.71871 6.06312 10.4945 7.29898 numMergedOcc 0
19 mol 249 unq 5 iso 0 dist 7.10933 6.42827 8.71871 10.3054 15.0362 8.91685 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 6.4889 9.78185 9.42665 11.3788 13.5167 9.73021 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 7.07268 8.27977 4.51764 14.4082 12.4363 8.13489 numMergedOcc 0
22 mol 283 unq 0 iso 0 dist 9.24924 7.92491 7.62155 5.9309 13.4216 9.53225 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 7.26294 7.28096 11.2095 5.75946 12.8881 9.6331 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 7.26294 7.28096 11.2095 5.75946 12.8881 9.6331 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 7.26294 7.28096 11.2095 5.75946 12.8881 9.6331 numMergedOcc 0
