0 mol 48 unq 0 iso 0 dist 5.35252 9.40644 5.43494 10.6637 9.79657 11.7677 6.39496 8.80801 14.1606 12.5527 numMergedOcc 0
1 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
2 mol 87 unq 1 iso 0 dist 6.22441 5.91543 5.78586 4.54351 7.35921 9.83067 13.0389 9.67406 14.3864 11.8835 numMergedOcc 0
3 mol 87 unq 2 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 140 unq 0 iso 0 dist 7.60956 9.9171 5.17212 5.00766 6.55217 7.21686 5.30674 9.8553 11.7688 4.63095 numMergedOcc 0
5 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
6 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
7 mol 205 unq 0 iso 0 dist 4.81837 6.43519 9.98031 6.25023 7.25362 12.381 6.89035 5.8325 12.7548 5.18043 numMergedOcc 0
8 mol 220 unq 0 iso 0 dist 5.25149 8.6368 11.0459 8.17619 9.57625 8.08702 6.555 7.81237 14.9704 11.6555 numMergedOcc 0
9 mol 220 unq 1 iso 0 dist 8.6368 5.25149 11.0459 7.36665 9.984 12.5698 14.0074 9.33769 16.9505 11.799 numMergedOcc 0
10 mol 220 unq 2 iso 0 dist 8.6368 5.25149 11.0459 7.36665 9.984 12.5698 12.2375 6.25503 13.8075 12.9743 numMergedOcc 0
11 mol 220 unq 3 iso 0 dist 8.6368 5.25149 11.0459 8.17619 8.08702 9.57625 14.0074 9.33769 16.9505 8.17058 numMergedOcc 0
12 mol 220 unq 4 iso 0 dist 8.6368 5.25149 11.0459 8.17619 8.08702 9.57625 12.2375 6.25503 13.8075 6.39826 numMergedOcc 0
13 mol 239 unq 0 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
14 mol 239 unq 1 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
15 mol 239 unq 2 iso 0 dist 8.86185 9.01071 15.9311 10.1043 7.80073 18.9779 13.9599 8.39251 22.4858 6.88711 numMergedOcc 0
16 mol 239 unq 3 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
17 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
18 mol 282 unq 0 iso 0 dist 6.04225 8.54984 5.72971 6.0405 6.51248 8.30313 6.87677 8.79823 13.7929 10.3562 numMergedOcc 0
19 mol 282 unq 1 iso 0 dist 5.00258 9.98886 10.6828 6.38947 6.51248 11.7298 4.44911 8.79823 12.4603 10.3562 numMergedOcc 0
20 mol 282 unq 2 iso 0 dist 8.22117 6.81887 10.6828 5.98603 6.51248 11.7298 9.11051 8.79823 12.4603 10.3562 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 6.96774 7.14859 7.11169 7.43524 9.84741 13.972 4.38561 8.05825 11.0609 3.27443 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 6.96774 7.14859 7.11169 7.43524 9.84741 13.972 4.38561 8.05825 11.0609 3.27443 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 6.96774 7.14859 7.11169 7.43524 9.84741 13.972 4.38561 8.05825 11.0609 3.27443 numMergedOcc 0
