0 mol 11 unq 0 iso 0 dist 5.43238 8.73067 8.17605 3.56133 5.25331 10.0282 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.43238 9.09091 7.5901 3.66215 4.79838 9.81983 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 8.11206 8.71752 4.73598 14.0224 9.58751 14.3096 numMergedOcc 0
3 mol 27 unq 1 iso 0 dist 8.11206 7.60283 7.47886 14.0224 9.58751 11.3725 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 8.55901 8.90835 4.46241 12.0023 9.56614 11.3867 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 7.71914 8.2946 6.45654 4.42374 9.25424 8.0991 numMergedOcc 0
6 mol 34 unq 2 iso 0 dist 7.71914 8.2946 6.45654 3.69607 7.69101 9.95093 numMergedOcc 0
7 mol 34 unq 3 iso 0 dist 7.71914 9.25346 11.9626 4.42374 9.25424 8.80175 numMergedOcc 0
8 mol 34 unq 4 iso 0 dist 7.71914 9.25346 11.9626 3.69607 7.69101 12.1965 numMergedOcc 0
9 mol 45 unq 0 iso 0 dist 8.59109 5.55096 8.70414 3.82801 9.44125 9.09185 numMergedOcc 0
10 mol 48 unq 0 iso 0 dist 9.54797 7.34031 12.9941 5.67204 7.03832 12.1255 numMergedOcc 0
11 mol 48 unq 1 iso 0 dist 9.54797 7.34031 12.9941 4.28224 7.16443 7.11491 numMergedOcc 0
12 mol 48 unq 2 iso 0 dist 9.76285 8.58829 4.40229 12.2529 4.53565 8.56365 numMergedOcc 0
13 mol 48 unq 3 iso 0 dist 9.76285 8.58829 4.40229 5.98272 8.53722 7.47783 numMergedOcc 0
14 mol 48 unq 4 iso 0 dist 9.76285 8.58829 4.40229 7.83821 6.15814 8.74151 numMergedOcc 0
15 mol 48 unq 5 iso 0 dist 9.76285 8.58829 4.40229 5.51708 7.70284 8.69662 numMergedOcc 0
16 mol 48 unq 6 iso 0 dist 9.76285 7.281 13.0328 4.12075 7.08628 7.1829 numMergedOcc 0
17 mol 58 unq 0 iso 0 dist 8.80108 8.71468 10.8421 3.8375 8.88313 12.2293 numMergedOcc 0
18 mol 58 unq 1 iso 0 dist 8.80108 8.71468 10.8421 6.11446 5.48837 9.97953 numMergedOcc 0
19 mol 58 unq 2 iso 0 dist 6.96494 9.11258 13.4366 5.87305 7.07522 14.2182 numMergedOcc 0
20 mol 58 unq 3 iso 0 dist 6.96494 9.11258 13.4366 11.3972 9.15753 18.8436 numMergedOcc 0
21 mol 58 unq 4 iso 0 dist 6.50297 8.71468 11.3634 3.8375 7.07522 12.2293 numMergedOcc 0
22 mol 58 unq 5 iso 0 dist 6.50297 8.71468 11.3634 6.11446 9.15753 9.97953 numMergedOcc 0
23 mol 58 unq 6 iso 0 dist 7.01363 9.11258 8.88332 4.43437 8.98478 6.41008 numMergedOcc 0
24 mol 59 unq 0 iso 0 dist 6.90952 9.52272 8.01051 3.75088 8.10723 12.874 numMergedOcc 0
25 mol 114 unq 0 iso 0 dist 8.39249 9.83981 14.0577 12.4143 7.93956 19.774 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 6.2135 5.52683 5.39904 5.09294 9.75587 10.0854 numMergedOcc 0
27 mol 141 unq 1 iso 0 dist 6.2135 5.26989 8.7258 5.72856 6.40751 10.4812 numMergedOcc 0
28 mol 141 unq 2 iso 0 dist 6.2135 7.76442 6.67552 5.72856 6.40751 11.7399 numMergedOcc 0
29 mol 175 unq 0 iso 0 dist 6.74517 9.19117 8.00091 6.54263 7.6077 4.51777 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 9.40622 5.95304 6.03415 10.4087 7.61421 9.20617 numMergedOcc 0
31 mol 204 unq 0 iso 0 dist 5.89018 9.55606 8.92711 3.99343 4.51124 11.8362 numMergedOcc 0
32 mol 204 unq 1 iso 0 dist 5.89018 9.55606 8.92711 11.4601 8.41517 16.0688 numMergedOcc 0
33 mol 204 unq 2 iso 0 dist 5.89018 7.10526 7.34293 6.68247 7.76863 11.8881 numMergedOcc 0
34 mol 225 unq 0 iso 0 dist 8.75834 9.47117 17.6349 14.7677 9.27079 24.1968 numMergedOcc 0
35 mol 225 unq 1 iso 0 dist 7.51827 7.73748 6.16433 4.10982 9.27079 11.4303 numMergedOcc 0
36 mol 235 unq 0 iso 0 dist 7.27958 6.54825 10.1944 9.32678 9.11149 15.2727 numMergedOcc 0
37 mol 238 unq 0 iso 0 dist 6.00721 7.04753 4.38002 6.07223 8.71877 11.9026 numMergedOcc 0
38 mol 250 unq 0 iso 0 dist 8.86638 6.28538 7.73342 3.70231 8.73744 9.25035 numMergedOcc 0
39 mol 250 unq 1 iso 0 dist 5.94383 6.28538 5.66455 3.70231 6.61917 9.25035 numMergedOcc 0
40 mol 254 unq 0 iso 0 dist 6.03988 8.94909 6.6011 4.84855 7.23916 11.5842 numMergedOcc 0
41 mol 254 unq 1 iso 0 dist 6.03988 8.94909 6.6011 5.67608 6.12653 9.50951 numMergedOcc 0
