0 mol 55 unq 0 iso 0 dist 9.24055 5.24742 5.25318 12.3514 9.34552 12.2917 3.763 12.9096 8.93644 14.4357 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 9.66898 9.29433 5.25318 7.15478 9.34552 12.2917 8.16293 12.9096 8.93644 14.4357 numMergedOcc 0
2 mol 87 unq 0 iso 0 dist 6.22441 5.91543 5.78586 4.54351 7.35921 9.83067 4.40643 9.42123 9.18848 4.78036 numMergedOcc 0
3 mol 87 unq 1 iso 0 dist 5.91543 6.22441 5.78586 6.17843 9.78949 9.68492 4.40643 9.18848 9.42123 9.29573 numMergedOcc 0
4 mol 87 unq 2 iso 0 dist 5.91543 6.22441 5.78586 6.17843 9.78949 9.68492 13.0389 14.3864 9.67406 11.6911 numMergedOcc 0
5 mol 140 unq 0 iso 0 dist 9.9171 7.60956 5.17212 5.00766 7.21686 6.55217 5.30674 11.7688 9.8553 4.63095 numMergedOcc 0
6 mol 183 unq 0 iso 0 dist 8.97652 8.29364 5.77399 4.92164 9.84649 11.5589 6.26917 9.01322 6.0033 10.7823 numMergedOcc 0
7 mol 183 unq 1 iso 0 dist 8.97652 8.29364 5.77399 4.92164 9.84649 11.5589 9.55477 5.89091 9.51612 10.2182 numMergedOcc 0
8 mol 205 unq 0 iso 0 dist 6.43519 4.81837 9.98031 5.07259 8.27071 9.27861 6.89035 12.7548 5.8325 9.60726 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 5.25149 8.6368 11.0459 8.17619 9.57625 8.08702 14.0074 16.9505 9.33769 8.17058 numMergedOcc 0
10 mol 220 unq 1 iso 0 dist 5.25149 8.6368 11.0459 8.17619 9.57625 8.08702 12.2375 13.8075 6.25503 6.39826 numMergedOcc 0
11 mol 220 unq 2 iso 0 dist 8.6368 5.25149 11.0459 7.36665 9.984 12.5698 6.555 14.9704 7.81237 10.2973 numMergedOcc 0
12 mol 220 unq 3 iso 0 dist 8.6368 5.25149 11.0459 8.17619 8.08702 9.57625 6.555 14.9704 7.81237 11.6555 numMergedOcc 0
13 mol 229 unq 0 iso 0 dist 6.28935 8.4208 5.50813 6.40216 9.42877 12.8298 10.4845 11.668 7.32814 15.8267 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 9.01071 8.86185 15.9311 13.3781 7.449 20.3692 13.9599 22.4858 8.39251 25.5152 numMergedOcc 0
15 mol 239 unq 1 iso 0 dist 9.01071 8.86185 15.9311 13.3781 7.449 20.3692 6.54029 8.45305 8.99865 11.8868 numMergedOcc 0
16 mol 239 unq 2 iso 0 dist 9.01071 8.86185 15.9311 14.2324 8.98789 22.4527 13.9599 22.4858 8.39251 26.9974 numMergedOcc 0
17 mol 239 unq 3 iso 0 dist 9.01071 8.86185 15.9311 14.2324 8.98789 22.4527 6.54029 8.45305 8.99865 14.9427 numMergedOcc 0
18 mol 239 unq 4 iso 0 dist 8.86185 9.01071 15.9311 10.1043 7.80073 18.9779 6.54029 8.99865 8.45305 14.2541 numMergedOcc 0
19 mol 244 unq 0 iso 0 dist 7.79787 7.43391 12.5222 8.64762 6.2667 14.0376 6.33602 8.92083 9.59814 13.018 numMergedOcc 0
20 mol 282 unq 0 iso 0 dist 8.54984 6.04225 5.72971 6.0405 8.30313 6.51248 6.87677 13.7929 8.79823 10.3562 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 7.14859 6.96774 7.11169 14.0575 8.5458 13.9195 4.38561 11.0609 8.05825 17.5358 numMergedOcc 0
22 mol 287 unq 1 iso 0 dist 7.14859 6.96774 7.11169 10.6005 8.56533 11.3395 4.38561 11.0609 8.05825 12.9238 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 7.14859 6.96774 7.11169 14.0575 8.5458 13.9195 4.38561 11.0609 8.05825 17.5358 numMergedOcc 0
24 mol 288 unq 1 iso 0 dist 7.14859 6.96774 7.11169 10.6005 8.56533 11.3395 4.38561 11.0609 8.05825 12.9238 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 7.14859 6.96774 7.11169 14.0575 8.5458 13.9195 4.38561 11.0609 8.05825 17.5358 numMergedOcc 0
26 mol 289 unq 1 iso 0 dist 7.14859 6.96774 7.11169 10.6005 8.56533 11.3395 4.38561 11.0609 8.05825 12.9238 numMergedOcc 0
