0 mol 48 unq 0 iso 0 dist 9.55284 12.3426 5.7836 6.25072 5.54472 6.17529 8.50475 3.50984 8.29857 6.28603 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 9.55284 12.3426 5.7836 3.72926 8.62369 9.78584 8.50475 3.50984 8.29857 8.80303 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 9.55284 12.3426 5.7836 8.48678 6.5241 11.505 8.50475 3.50984 8.29857 7.11491 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 7.36877 11.2238 5.7836 6.64874 5.54472 6.17529 7.66163 3.50984 8.29857 6.28603 numMergedOcc 0
4 mol 48 unq 4 iso 0 dist 7.36877 11.2238 5.7836 5.68077 8.62369 9.78584 7.66163 3.50984 8.29857 8.80303 numMergedOcc 0
5 mol 48 unq 5 iso 0 dist 7.36877 11.2238 5.7836 3.85292 6.5241 11.505 7.66163 3.50984 8.29857 7.11491 numMergedOcc 0
6 mol 48 unq 6 iso 0 dist 7.90416 11.0942 9.42099 9.165 9.05737 3.85506 8.82709 7.06935 11.114 8.40186 numMergedOcc 0
7 mol 48 unq 7 iso 0 dist 6.89752 11.0606 5.82264 6.42565 5.37439 6.30002 7.1796 3.65036 8.19993 5.73454 numMergedOcc 0
8 mol 48 unq 8 iso 0 dist 6.89752 11.0606 5.82264 5.7824 8.3714 9.72383 7.1796 3.65036 8.19993 8.2012 numMergedOcc 0
9 mol 48 unq 9 iso 0 dist 6.89752 11.0606 5.82264 3.72746 6.36817 11.5388 7.1796 3.65036 8.19993 7.1829 numMergedOcc 0
10 mol 48 unq 10 iso 0 dist 6.89752 8.31475 8.56365 6.42565 5.37439 11.2833 7.1796 3.65036 11.427 5.73454 numMergedOcc 0
11 mol 48 unq 11 iso 0 dist 6.89752 8.31475 8.56365 5.7824 8.3714 12.3471 7.1796 3.65036 11.427 8.2012 numMergedOcc 0
12 mol 48 unq 12 iso 0 dist 6.89752 8.31475 8.56365 3.72746 6.36817 6.34854 7.1796 3.65036 11.427 7.1829 numMergedOcc 0
13 mol 48 unq 13 iso 0 dist 6.85843 8.31475 8.74151 3.72746 4.17933 6.34854 7.1796 5.37655 11.427 7.1829 numMergedOcc 0
14 mol 48 unq 14 iso 0 dist 7.94814 12.4972 8.74151 6.4561 4.17933 6.34854 9.16212 5.37655 11.427 7.1829 numMergedOcc 0
15 mol 48 unq 15 iso 0 dist 9.55632 12.4972 8.69662 6.4561 5.54893 6.34854 9.16212 8.48119 11.427 7.1829 numMergedOcc 0
16 mol 79 unq 0 iso 0 dist 6.64921 4.39227 8.84225 4.15002 4.15789 6.07693 5.72627 4.37918 8.03296 6.2576 numMergedOcc 0
17 mol 79 unq 1 iso 0 dist 6.64921 4.39227 8.84225 4.15002 4.15789 6.07693 7.68741 9.08423 5.82754 8.96069 numMergedOcc 0
18 mol 79 unq 2 iso 0 dist 6.64921 4.39227 8.84225 4.15002 4.15789 6.07693 9.76351 6.29733 8.87742 7.56495 numMergedOcc 0
19 mol 79 unq 3 iso 0 dist 6.64921 4.39227 8.84225 9.36535 4.808 10.8556 12.6483 6.0298 14.3527 5.79139 numMergedOcc 0
20 mol 79 unq 4 iso 0 dist 6.64921 4.39227 8.84225 9.36535 4.808 10.8556 9.76351 6.29733 8.87742 7.63923 numMergedOcc 0
21 mol 79 unq 5 iso 0 dist 6.64921 8.32896 6.72546 4.15002 4.15789 5.25584 5.72627 4.37918 9.26979 6.2576 numMergedOcc 0
22 mol 79 unq 6 iso 0 dist 6.64921 8.32896 6.72546 4.15002 4.15789 5.25584 7.68741 9.08423 9.05679 8.96069 numMergedOcc 0
23 mol 79 unq 7 iso 0 dist 6.64921 8.32896 6.72546 4.15002 4.15789 5.25584 9.76351 6.29733 4.93468 7.56495 numMergedOcc 0
24 mol 79 unq 8 iso 0 dist 6.64921 8.32896 6.72546 9.36535 4.808 5.79629 12.6483 6.0298 9.62311 5.79139 numMergedOcc 0
25 mol 79 unq 9 iso 0 dist 6.64921 8.32896 6.72546 9.36535 4.808 5.79629 9.76351 6.29733 4.93468 7.63923 numMergedOcc 0
26 mol 85 unq 0 iso 0 dist 8.67342 16.5181 9.13593 4.8069 6.67137 13.6534 11.1537 5.22259 11.5179 8.04853 numMergedOcc 0
27 mol 85 unq 1 iso 0 dist 8.60062 16.5181 8.25144 4.8069 7.04244 13.6534 11.1537 7.66499 11.5179 8.04853 numMergedOcc 0
28 mol 85 unq 2 iso 0 dist 5.73739 11.9312 9.13593 10.0178 6.67137 13.6534 10.2791 5.22259 11.5179 8.04853 numMergedOcc 0
29 mol 85 unq 3 iso 0 dist 5.16225 11.9312 8.25144 10.0178 7.04244 13.6534 10.2791 7.66499 11.5179 8.04853 numMergedOcc 0
30 mol 131 unq 0 iso 0 dist 7.34765 8.25083 8.47526 3.82317 7.53342 4.60864 9.75061 4.94367 5.87084 7.84546 numMergedOcc 0
31 mol 141 unq 0 iso 0 dist 5.28634 4.1584 4.92382 6.1672 4.88514 3.80087 13.1958 13.8739 9.83945 9.59109 numMergedOcc 0
32 mol 169 unq 0 iso 0 dist 6.27378 4.8154 9.84538 10.1931 5.10589 14.1141 5.82321 6.28646 10.616 7.85698 numMergedOcc 0
33 mol 169 unq 1 iso 0 dist 6.27378 4.8154 9.84538 10.1931 5.10589 14.1141 9.47253 7.83748 14.2117 6.35799 numMergedOcc 0
34 mol 254 unq 0 iso 0 dist 9.83135 5.80462 9.31434 12.319 9.20109 13.4911 18.4688 11.9238 16.4757 9.50951 numMergedOcc 0
35 mol 254 unq 1 iso 0 dist 7.40957 8.65259 9.50951 9.72134 9.20109 11.9238 17.7044 13.4911 16.4757 9.31434 numMergedOcc 0
36 mol 287 unq 0 iso 0 dist 5.55176 9.62532 9.25759 5.13698 4.68668 5.39801 12.6821 9.88575 10.3435 8.58427 numMergedOcc 0
37 mol 288 unq 0 iso 0 dist 5.55176 9.62532 9.25759 5.13698 4.68668 5.39801 12.6821 9.88575 10.3435 8.58427 numMergedOcc 0
38 mol 289 unq 0 iso 0 dist 5.55176 9.62532 9.25759 5.13698 4.68668 5.39801 12.6821 9.88575 10.3435 8.58427 numMergedOcc 0
