0 mol 8 unq 0 iso 0 dist 8.96553 9.62879 8.4069 4.41134 5.89134 10.4604 4.36226 8.53529 7.18019 6.38783 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 6.82505 9.97507 5.17568 8.20465 8.63502 7.876 12.1303 11.2317 7.48342 6.25997 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 4.54938 8.4674 7.67038 8.33878 7.97324 14.6813 9.74255 7.75618 8.40416 10.3824 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 6.864 4.51865 7.67038 11.8689 7.97324 14.6813 7.08342 7.75618 8.40416 10.3824 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 7.72775 9.61998 15.8896 8.52463 7.29868 8.60554 14.5906 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 6.86014 8.86116 10.0952 7.72775 9.61998 15.8896 10.971 16.1126 8.44664 17.6118 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 6.86014 8.86116 10.0952 7.72775 9.61998 15.8896 13.4893 15.8209 9.44691 21.0925 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 5.73819 6.20293 5.06502 5.54797 8.92291 6.79185 8.38399 12.3649 8.95682 7.95596 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 8.93915 6.20293 6.45462 5.54797 8.37962 6.79185 8.38399 14.3789 8.95682 7.95596 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 9.5589 6.83299 5.08001 8.17454 7.56581 9.22021 4.29856 10.6808 6.14538 11.3729 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 9.35224 7.17106 8.87654 6.35939 7.5951 10.6599 10.6848 15.2289 7.10378 16.3094 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 6.56369 7.47343 12.6515 4.46114 7.5951 10.653 11.2312 17.2419 7.38135 11.8843 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.00618 7.11802 8.18495 6.56917 4.51266 9.64695 16.0138 12.7901 9.22232 15.8925 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 8.00618 7.11802 8.18495 6.56917 4.51266 9.64695 5.92062 13.5028 9.22661 12.4336 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 8.00618 7.11802 8.18495 6.56917 4.51266 9.64695 6.61891 11.8433 7.56378 9.98416 numMergedOcc 0
15 mol 175 unq 0 iso 0 dist 9.0018 6.57069 8.16421 8.19969 5.08591 10.9009 8.29015 10.4182 9.77896 9.69012 numMergedOcc 0
16 mol 175 unq 1 iso 0 dist 5.6234 6.57069 5.35493 8.19969 8.03727 10.9009 8.29015 11.6765 9.77896 9.69012 numMergedOcc 0
17 mol 206 unq 0 iso 0 dist 7.7366 9.774 5.63422 9.81596 5.52084 11.0438 6.45859 6.16414 7.75885 9.78738 numMergedOcc 0
18 mol 229 unq 0 iso 0 dist 7.03423 8.22528 5.57838 5.31837 7.38552 10.662 6.65022 11.1976 8.66332 11.6921 numMergedOcc 0
19 mol 234 unq 0 iso 0 dist 9.45496 6.56247 5.88703 8.83842 6.35438 7.72403 4.46561 13.293 9.81425 10.8078 numMergedOcc 0
20 mol 234 unq 1 iso 0 dist 6.7625 9.36357 5.88703 5.43327 6.35438 7.72403 10.641 13.293 9.81425 10.8078 numMergedOcc 0
