0 mol 26 unq 0 iso 0 dist 7.10804 15.2306 8.36742 11.0744 5.02457 6.70325 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.64424 8.82979 8.36742 11.3324 5.02457 6.70325 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.10681 15.0854 7.07773 18.3866 9.33491 5.68794 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 9.10681 15.0854 7.07773 22.496 13.4367 8.9964 numMergedOcc 0
4 mol 42 unq 0 iso 0 dist 9.0802 4.12203 9.09778 9.50049 9.38166 9.39402 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 8.06519 3.42062 7.32699 7.99735 13.3375 7.90416 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 7.54027 3.42062 6.45933 7.99735 8.95658 7.90416 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 8.80303 10.3901 7.62814 12.3871 4.76618 9.24708 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 8.06502 6.42604 4.45433 6.09318 5.42987 7.50229 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 5.09725 6.02092 7.60619 6.00684 5.46484 6.64921 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 5.50402 10.2696 7.57472 5.88001 3.44158 5.28634 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 7.2409 3.35238 8.84926 10.8353 12.0708 7.97305 numMergedOcc 0
12 mol 176 unq 0 iso 0 dist 8.36606 3.84631 9.95907 7.36833 10.5221 9.60931 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 7.10646 3.95521 8.67956 5.77947 6.13765 8.06847 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 9.26044 11.2097 7.14918 12.1933 4.56036 4.44509 numMergedOcc 0
15 mol 239 unq 1 iso 0 dist 9.26044 6.10489 9.29322 10.118 13.9377 5.4687 numMergedOcc 0
16 mol 251 unq 0 iso 0 dist 9.71053 3.46172 9.20256 8.08045 5.10527 7.90148 numMergedOcc 0
17 mol 251 unq 1 iso 0 dist 9.71053 3.46172 9.20256 12.7223 11.4833 9.49019 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 8.85872 5.39384 8.36585 4.75392 12.0536 8.39976 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 8.85872 5.39384 8.36585 4.75392 12.0536 8.39976 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 8.85872 5.39384 8.36585 4.75392 12.0536 8.39976 numMergedOcc 0
