0 mol 46 unq 0 iso 0 dist 9.57343 11.6128 9.31319 12.7344 9.72136 13.1434 13.8332 9.942 15.711 3.7765 numMergedOcc 0
1 mol 46 unq 1 iso 0 dist 9.57343 11.6128 9.31319 12.7344 9.72136 13.1434 13.4381 5.92771 7.13979 13.4768 numMergedOcc 0
2 mol 46 unq 2 iso 0 dist 9.57343 11.6128 9.31319 13.9221 4.61355 10.9054 13.8332 9.942 15.711 9.44812 numMergedOcc 0
3 mol 46 unq 3 iso 0 dist 9.57343 11.6128 9.31319 13.9221 4.61355 10.9054 13.4381 5.92771 7.13979 6.08836 numMergedOcc 0
4 mol 46 unq 4 iso 0 dist 9.57343 6.124 8.2513 12.7344 9.72136 14.5035 13.8332 9.942 16.0486 3.7765 numMergedOcc 0
5 mol 46 unq 5 iso 0 dist 9.57343 6.124 8.2513 12.7344 9.72136 14.5035 13.4381 5.92771 9.26597 13.4768 numMergedOcc 0
6 mol 46 unq 6 iso 0 dist 9.57343 6.124 8.2513 13.9221 4.61355 12.3186 13.8332 9.942 16.0486 9.44812 numMergedOcc 0
7 mol 46 unq 7 iso 0 dist 9.57343 6.124 8.2513 13.9221 4.61355 12.3186 13.4381 5.92771 9.26597 6.08836 numMergedOcc 0
8 mol 122 unq 0 iso 0 dist 6.12598 5.24418 7.43775 6.16219 5.42764 4.0204 12.5207 8.88554 9.78876 6.58474 numMergedOcc 0
9 mol 122 unq 1 iso 0 dist 6.12598 9.66073 8.09594 6.16219 5.42764 3.90443 12.5207 8.88554 4.59202 6.58474 numMergedOcc 0
10 mol 122 unq 2 iso 0 dist 7.15796 9.42426 7.43775 5.48837 5.42764 4.0204 3.42135 8.88554 9.78876 6.58474 numMergedOcc 0
11 mol 122 unq 3 iso 0 dist 7.15796 5.77589 8.09594 5.48837 5.42764 3.90443 3.42135 8.88554 4.59202 6.58474 numMergedOcc 0
12 mol 123 unq 0 iso 0 dist 9.06373 4.4932 8.87148 8.03795 8.18122 4.1335 9.43546 9.85144 6.21159 3.3389 numMergedOcc 0
13 mol 148 unq 0 iso 0 dist 7.33878 11.9395 9.7168 5.13506 9.8506 15.239 8.71841 7.91749 6.77599 13.5156 numMergedOcc 0
14 mol 148 unq 1 iso 0 dist 7.33878 8.04205 7.38138 5.13506 9.8506 8.68046 8.71841 7.91749 10.2375 13.5156 numMergedOcc 0
15 mol 150 unq 0 iso 0 dist 7.48646 11.9366 9.61132 5.16426 9.91991 15.2388 8.80584 7.96309 6.74495 13.6094 numMergedOcc 0
16 mol 150 unq 1 iso 0 dist 7.48646 7.9422 7.34423 5.16426 9.91991 8.55576 8.80584 7.96309 10.2651 13.6094 numMergedOcc 0
17 mol 158 unq 0 iso 0 dist 9.66949 4.78033 8.1504 5.29231 6.22696 4.63654 9.83006 4.80508 6.81208 5.09517 numMergedOcc 0
18 mol 158 unq 1 iso 0 dist 9.66949 4.78033 8.1504 5.29231 6.22696 4.63654 9.52531 4.88625 5.74997 6.2149 numMergedOcc 0
19 mol 198 unq 0 iso 0 dist 4.39804 7.74458 5.80867 6.73613 8.37455 6.0599 6.88195 7.48253 4.27652 3.4601 numMergedOcc 0
20 mol 198 unq 1 iso 0 dist 9.77781 5.21925 5.80867 8.89394 8.37455 6.0599 5.73959 7.48253 4.27652 3.4601 numMergedOcc 0
21 mol 198 unq 2 iso 0 dist 7.88734 7.74458 9.4363 8.61891 8.80827 15.1173 6.88195 6.13687 4.27652 12.096 numMergedOcc 0
22 mol 198 unq 3 iso 0 dist 7.88734 7.74458 9.4363 6.73613 8.17562 6.0599 6.88195 6.13687 4.27652 3.4601 numMergedOcc 0
23 mol 198 unq 4 iso 0 dist 8.80253 5.21925 9.4363 16.7858 8.80827 15.1173 5.73959 6.13687 4.27652 12.096 numMergedOcc 0
24 mol 198 unq 5 iso 0 dist 8.80253 5.21925 9.4363 8.89394 8.17562 6.0599 5.73959 6.13687 4.27652 3.4601 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 8.61758 4.7088 8.3035 10.6488 8.9694 8.48942 7.25055 6.03628 4.15355 5.22858 numMergedOcc 0
26 mol 214 unq 1 iso 0 dist 5.45548 4.7088 9.01896 5.055 8.70011 8.52282 4.26898 7.81831 7.79075 3.64285 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 6.2587 9.05051 9.22576 9.8719 7.74312 4.13216 9.73619 8.08382 6.68639 3.66473 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 6.2587 9.05051 9.22576 9.8719 7.74312 4.13216 9.73619 8.08382 6.68639 3.66473 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 6.2587 9.05051 9.22576 9.8719 7.74312 4.13216 9.73619 8.08382 6.68639 3.66473 numMergedOcc 0
