0 mol 11 unq 0 iso 0 dist 5.25331 3.66215 6.83186 9.09091 6.51674 9.81983 12.4305 12.0683 9.89425 9.74251 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 7.4403 3.76025 4.75881 10.8637 8.00615 7.37118 7.882 3.41186 6.52283 10.3779 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 8.61815 8.50202 4.75881 13.4932 8.00615 7.37118 6.016 3.41186 6.52283 10.3779 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 7.02387 10.1271 6.5241 10.0196 3.50984 7.11491 16.3276 9.94951 7.78689 8.23404 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 8.44353 4.28224 8.22812 7.34031 11.6319 7.11491 10.8614 9.26377 7.78689 8.23404 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 6.11249 4.28224 4.22002 7.34031 5.39812 7.11491 10.8614 4.88527 7.78689 8.23404 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 7.86326 4.28224 5.77855 7.34031 8.55482 7.11491 10.8614 4.76279 7.78689 8.23404 numMergedOcc 0
7 mol 48 unq 4 iso 0 dist 4.74786 4.28224 6.5241 7.34031 3.50984 7.11491 10.8614 9.94951 7.78689 8.23404 numMergedOcc 0
8 mol 48 unq 5 iso 0 dist 4.53565 4.12075 6.36817 7.281 3.65036 7.1829 10.6461 9.7018 7.70645 8.13327 numMergedOcc 0
9 mol 48 unq 6 iso 0 dist 8.53722 4.12075 8.0812 7.281 11.611 7.1829 10.6461 8.95384 7.70645 8.13327 numMergedOcc 0
10 mol 48 unq 7 iso 0 dist 6.15814 4.12075 4.17933 7.281 5.37655 7.1829 10.6461 4.57947 7.70645 8.13327 numMergedOcc 0
11 mol 48 unq 8 iso 0 dist 7.70284 4.12075 5.54893 7.281 8.48119 7.1829 10.6461 4.60843 7.70645 8.13327 numMergedOcc 0
12 mol 48 unq 9 iso 0 dist 7.08628 12.2529 6.36817 17.448 11.5388 5.82264 18.0126 11.246 7.7927 5.50677 numMergedOcc 0
13 mol 48 unq 10 iso 0 dist 7.08628 12.2529 6.36817 17.448 11.5388 5.82264 16.0298 9.92075 6.17378 3.90503 numMergedOcc 0
14 mol 48 unq 11 iso 0 dist 7.08628 12.2529 6.36817 8.58829 6.34854 8.56365 18.0126 11.246 7.7927 11.8248 numMergedOcc 0
15 mol 48 unq 12 iso 0 dist 7.08628 12.2529 6.36817 8.58829 6.34854 8.56365 16.0298 9.92075 6.17378 9.10288 numMergedOcc 0
16 mol 79 unq 0 iso 0 dist 7.08462 4.89844 6.20144 7.87237 5.79629 7.38548 8.71844 7.19532 4.74254 6.0749 numMergedOcc 0
17 mol 143 unq 0 iso 0 dist 8.08798 4.19541 4.3855 9.30424 4.5497 7.2932 7.46803 5.94217 6.60366 4.06908 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 8.3107 3.92649 8.66082 7.69296 6.28944 5.05626 10.1796 4.84709 8.49349 3.94038 numMergedOcc 0
19 mol 214 unq 1 iso 0 dist 8.3107 11.4548 7.96338 7.69296 6.28944 8.41013 10.1796 4.84709 6.50654 3.94038 numMergedOcc 0
20 mol 254 unq 0 iso 0 dist 7.23916 6.19835 7.85841 13.3411 11.0708 9.31434 9.66641 8.8967 5.6417 3.91259 numMergedOcc 0
21 mol 254 unq 1 iso 0 dist 7.23916 6.19835 7.85841 13.3411 11.0708 9.31434 9.26575 9.42679 7.42831 5.53173 numMergedOcc 0
22 mol 254 unq 2 iso 0 dist 6.12653 6.19835 9.20109 13.3411 13.4911 9.31434 9.66641 10.929 5.6417 3.91259 numMergedOcc 0
23 mol 254 unq 3 iso 0 dist 6.12653 6.19835 9.20109 13.3411 13.4911 9.31434 9.26575 10.706 7.42831 5.53173 numMergedOcc 0
24 mol 256 unq 0 iso 0 dist 5.85613 3.89364 5.58222 7.48269 5.59732 4.36333 8.94802 4.96861 7.32564 4.10994 numMergedOcc 0
25 mol 256 unq 1 iso 0 dist 5.85613 3.89364 5.58222 6.71249 3.96807 6.96483 8.94802 4.96861 7.32564 3.90666 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 5.50067 8.99193 4.68668 5.59555 5.39801 9.25759 8.59762 3.66473 4.93516 5.97664 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 5.50067 8.99193 4.68668 5.59555 5.39801 9.25759 8.59762 3.66473 4.93516 5.97664 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 5.50067 8.99193 4.68668 5.59555 5.39801 9.25759 8.59762 3.66473 4.93516 5.97664 numMergedOcc 0
