0 mol 48 unq 0 iso 0 dist 7.02387 10.1271 6.5241 13.8073 10.1674 8.22812 16.7917 15.8154 13.697 7.20729 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 7.03832 5.59994 8.65524 7.16443 5.62671 8.22812 12.9941 12.1255 11.6319 7.11491 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 7.03832 7.78417 8.96151 7.16443 5.62671 4.22002 12.9941 12.1255 5.39812 7.11491 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 7.03832 5.47187 9.02535 7.16443 5.62671 5.77855 12.9941 12.1255 8.55482 7.11491 numMergedOcc 0
4 mol 48 unq 4 iso 0 dist 8.44353 4.28224 8.22812 4.74786 10.1674 6.5241 8.13678 14.3851 11.505 5.7836 numMergedOcc 0
5 mol 48 unq 5 iso 0 dist 6.11249 5.67204 8.96151 8.44353 6.87266 8.65524 12.8187 13.73 10.8889 7.20729 numMergedOcc 0
6 mol 48 unq 6 iso 0 dist 6.11249 4.28224 4.22002 8.44353 6.87266 8.22812 12.8187 13.73 13.697 7.20729 numMergedOcc 0
7 mol 48 unq 7 iso 0 dist 6.11249 4.28224 4.22002 4.74786 5.61785 6.5241 8.13678 11.3217 11.505 5.7836 numMergedOcc 0
8 mol 48 unq 8 iso 0 dist 7.86326 5.67204 9.02535 8.44353 4.62605 8.65524 12.8187 11.6534 10.8889 7.20729 numMergedOcc 0
9 mol 48 unq 9 iso 0 dist 7.86326 4.28224 5.77855 8.44353 4.62605 8.22812 12.8187 11.6534 13.697 7.20729 numMergedOcc 0
10 mol 48 unq 10 iso 0 dist 7.86326 4.28224 5.77855 4.74786 8.43495 6.5241 8.13678 13.8474 11.505 5.7836 numMergedOcc 0
11 mol 48 unq 11 iso 0 dist 4.74786 4.28224 6.5241 8.44353 10.1674 8.22812 12.8187 15.8154 13.697 7.20729 numMergedOcc 0
12 mol 48 unq 12 iso 0 dist 7.16443 12.3016 6.5241 15.6912 8.66712 5.54472 12.9941 7.11491 3.50984 6.28603 numMergedOcc 0
13 mol 48 unq 13 iso 0 dist 7.16443 12.3016 6.5241 16.0943 9.07711 8.62369 12.9941 7.11491 3.50984 8.80303 numMergedOcc 0
14 mol 48 unq 14 iso 0 dist 4.53565 4.12075 6.36817 8.53722 9.94041 8.0812 12.7671 15.5445 13.357 7.32996 numMergedOcc 0
15 mol 48 unq 15 iso 0 dist 4.53565 4.12075 6.36817 8.53722 9.94041 8.0812 4.40229 8.56365 6.34854 7.47783 numMergedOcc 0
16 mol 48 unq 16 iso 0 dist 4.53565 4.12075 6.36817 6.15814 5.553 4.17933 4.40229 8.56365 6.34854 8.74151 numMergedOcc 0
17 mol 48 unq 17 iso 0 dist 4.53565 4.12075 6.36817 7.70284 8.14415 5.54893 4.40229 8.56365 6.34854 8.69662 numMergedOcc 0
18 mol 48 unq 18 iso 0 dist 8.53722 4.12075 8.0812 4.53565 9.94041 6.36817 8.24402 14.3528 11.5388 5.82264 numMergedOcc 0
19 mol 48 unq 19 iso 0 dist 8.53722 4.12075 8.0812 4.53565 9.94041 6.36817 4.40229 7.47783 6.34854 8.56365 numMergedOcc 0
20 mol 48 unq 20 iso 0 dist 8.53722 4.12075 8.0812 6.15814 6.96103 4.17933 4.40229 7.47783 6.34854 8.74151 numMergedOcc 0
21 mol 48 unq 21 iso 0 dist 8.53722 4.12075 8.0812 7.70284 4.54874 5.54893 4.40229 7.47783 6.34854 8.69662 numMergedOcc 0
22 mol 48 unq 22 iso 0 dist 6.15814 4.12075 4.17933 4.53565 5.553 6.36817 8.24402 11.342 11.5388 5.82264 numMergedOcc 0
23 mol 48 unq 23 iso 0 dist 6.15814 4.12075 4.17933 4.53565 5.553 6.36817 4.40229 8.74151 6.34854 8.56365 numMergedOcc 0
24 mol 48 unq 24 iso 0 dist 6.15814 4.12075 4.17933 8.53722 6.96103 8.0812 12.7671 13.8202 13.357 7.32996 numMergedOcc 0
25 mol 48 unq 25 iso 0 dist 6.15814 4.12075 4.17933 8.53722 6.96103 8.0812 4.40229 8.74151 6.34854 7.47783 numMergedOcc 0
26 mol 48 unq 26 iso 0 dist 6.15814 4.12075 4.17933 7.70284 3.18526 5.54893 4.40229 8.74151 6.34854 8.69662 numMergedOcc 0
27 mol 48 unq 27 iso 0 dist 7.70284 4.12075 5.54893 4.53565 8.14415 6.36817 8.24402 13.6649 11.5388 5.82264 numMergedOcc 0
28 mol 48 unq 28 iso 0 dist 7.70284 4.12075 5.54893 4.53565 8.14415 6.36817 4.40229 8.69662 6.34854 8.56365 numMergedOcc 0
29 mol 48 unq 29 iso 0 dist 7.70284 4.12075 5.54893 8.53722 4.54874 8.0812 12.7671 11.605 13.357 7.32996 numMergedOcc 0
30 mol 48 unq 30 iso 0 dist 7.70284 4.12075 5.54893 8.53722 4.54874 8.0812 4.40229 8.69662 6.34854 7.47783 numMergedOcc 0
31 mol 48 unq 31 iso 0 dist 7.70284 4.12075 5.54893 6.15814 3.18526 4.17933 4.40229 8.69662 6.34854 8.74151 numMergedOcc 0
32 mol 48 unq 32 iso 0 dist 7.08628 12.2529 6.36817 15.636 8.61401 5.37439 13.0328 7.1829 3.65036 5.73454 numMergedOcc 0
33 mol 48 unq 33 iso 0 dist 7.08628 12.2529 6.36817 16.1395 9.16142 8.3714 13.0328 7.1829 3.65036 8.2012 numMergedOcc 0
34 mol 79 unq 0 iso 0 dist 7.90338 4.35906 4.15789 7.08462 5.30569 4.808 4.94373 9.44983 6.0298 5.79139 numMergedOcc 0
35 mol 79 unq 1 iso 0 dist 7.90338 4.35906 4.15789 7.08462 5.30569 4.808 4.52595 7.56495 6.29733 7.63923 numMergedOcc 0
36 mol 79 unq 2 iso 0 dist 5.82384 4.39784 6.20144 8.58021 7.13643 4.808 14.8041 13.2872 10.8556 8.84225 numMergedOcc 0
37 mol 79 unq 3 iso 0 dist 5.82384 4.39784 6.20144 8.58021 7.13643 4.808 8.45612 7.38548 5.79629 6.72546 numMergedOcc 0
38 mol 79 unq 4 iso 0 dist 7.08462 4.35906 4.808 7.90338 5.30569 4.15789 5.97134 9.11841 4.37918 6.2576 numMergedOcc 0
39 mol 79 unq 5 iso 0 dist 7.08462 4.35906 4.808 7.90338 5.30569 4.15789 9.00783 12.5055 9.08423 8.96069 numMergedOcc 0
40 mol 79 unq 6 iso 0 dist 7.08462 4.35906 4.808 7.90338 5.30569 4.15789 4.52595 7.63923 6.29733 7.56495 numMergedOcc 0
41 mol 79 unq 7 iso 0 dist 7.15907 5.01567 6.20144 8.78124 7.13643 4.808 11.4135 13.2872 10.8556 8.84225 numMergedOcc 0
42 mol 79 unq 8 iso 0 dist 7.15907 5.01567 6.20144 8.78124 7.13643 4.808 4.58851 7.38548 5.79629 6.72546 numMergedOcc 0
43 mol 85 unq 0 iso 0 dist 5.61151 10.803 6.67137 6.54289 2.58673 7.04244 5.75469 9.13593 13.6534 8.25144 numMergedOcc 0
44 mol 85 unq 1 iso 0 dist 5.61151 5.49707 9.78707 6.54289 2.58673 9.63449 5.75469 9.13593 3.93938 8.25144 numMergedOcc 0
45 mol 85 unq 2 iso 0 dist 6.54289 10.803 7.04244 5.61151 2.58673 6.67137 5.75469 8.25144 13.6534 9.13593 numMergedOcc 0
46 mol 85 unq 3 iso 0 dist 6.54289 5.49707 9.63449 5.61151 2.58673 9.78707 5.75469 8.25144 3.93938 9.13593 numMergedOcc 0
47 mol 85 unq 4 iso 0 dist 7.52869 9.46256 7.04244 9.18895 2.58673 6.67137 7.66862 8.25144 13.6534 9.13593 numMergedOcc 0
48 mol 85 unq 5 iso 0 dist 7.52869 11.3191 9.63449 9.18895 2.58673 9.78707 7.66862 8.25144 3.93938 9.13593 numMergedOcc 0
49 mol 85 unq 6 iso 0 dist 9.18945 6.34431 7.04244 9.58605 2.58673 6.67137 11.7978 8.25144 13.6534 9.13593 numMergedOcc 0
50 mol 85 unq 7 iso 0 dist 9.18945 14.7195 9.63449 9.58605 2.58673 9.78707 11.7978 8.25144 3.93938 9.13593 numMergedOcc 0
51 mol 113 unq 0 iso 0 dist 5.45882 5.09579 4.49669 9.69937 5.7147 5.31126 10.6347 10.4064 6.29259 7.40338 numMergedOcc 0
52 mol 113 unq 1 iso 0 dist 5.45882 5.09579 4.49669 9.69937 5.7147 5.31126 13.1401 11.148 8.17309 6.23759 numMergedOcc 0
53 mol 113 unq 2 iso 0 dist 5.45882 5.46299 5.88896 9.69937 5.7147 7.16619 10.6347 10.4064 7.08122 7.40338 numMergedOcc 0
54 mol 113 unq 3 iso 0 dist 5.45882 5.46299 5.88896 9.69937 5.7147 7.16619 13.1401 11.148 9.30967 6.23759 numMergedOcc 0
55 mol 113 unq 4 iso 0 dist 4.57487 5.09579 6.00221 9.69937 8.09465 5.31126 10.6347 11.5441 6.29259 7.40338 numMergedOcc 0
56 mol 113 unq 5 iso 0 dist 4.57487 5.09579 6.00221 9.69937 8.09465 5.31126 13.1401 12.8832 8.17309 6.23759 numMergedOcc 0
57 mol 123 unq 0 iso 0 dist 8.53618 14.0485 8.03692 17.1707 8.77423 8.78115 12.1983 7.30244 4.10526 9.42762 numMergedOcc 0
58 mol 214 unq 0 iso 0 dist 7.72298 6.05252 7.96338 14.0046 10.5332 8.66082 10.8576 8.41013 6.28944 5.05626 numMergedOcc 0
59 mol 254 unq 0 iso 0 dist 7.23916 6.19835 7.85841 6.12653 3.15539 9.20109 6.6011 11.5842 11.9238 9.50951 numMergedOcc 0
60 mol 260 unq 0 iso 0 dist 5.30187 5.91135 6.48099 10.853 8.76827 7.04263 4.73121 4.52405 3.60349 6.12343 numMergedOcc 0
61 mol 281 unq 0 iso 0 dist 9.94612 6.83942 6.69267 12.0277 3.77058 6.56886 14.9634 6.18742 11.7772 6.8089 numMergedOcc 0
62 mol 285 unq 0 iso 0 dist 6.01404 6.01515 5.88958 9.14377 4.87372 7.78121 4.39689 8.79261 8.78384 9.99125 numMergedOcc 0
