0 mol 26 unq 0 iso 0 dist 8.6112 6.88695 4.09495 9.63803 5.23054 8.25132 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 9.25641 9.96265 16.532 7.61923 14.0111 6.16718 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 4.67917 6.65344 5.34079 8.35477 5.38738 3.98306 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 6.88924 6.65344 6.11334 8.35477 3.68445 3.98306 numMergedOcc 0
4 mol 71 unq 0 iso 0 dist 9.44364 9.50139 4.32794 9.47964 8.22454 11.9362 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 8.36326 8.69069 3.96825 9.70292 10.1179 7.26851 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 8.36326 8.69069 3.96825 9.59704 11.97 9.13016 numMergedOcc 0
7 mol 95 unq 2 iso 0 dist 8.36326 9.65047 16.7208 9.70292 10.1179 14.2178 numMergedOcc 0
8 mol 95 unq 3 iso 0 dist 8.36326 9.65047 16.7208 9.59704 11.97 8.78079 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 9.57953 4.99966 8.44658 4.49975 11.9103 4.65519 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 7.72434 7.91337 12.3603 5.90003 11.4056 6.30721 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 7.72434 6.40546 6.0968 5.90003 11.4056 10.5082 numMergedOcc 0
12 mol 132 unq 0 iso 0 dist 8.883 8.7366 12.3669 9.98509 10.2751 4.04586 numMergedOcc 0
13 mol 154 unq 0 iso 0 dist 7.10223 7.26897 10.2589 5.06116 5.18463 5.68978 numMergedOcc 0
14 mol 155 unq 0 iso 0 dist 6.91762 4.44292 5.01007 7.25009 5.05961 7.10286 numMergedOcc 0
15 mol 169 unq 0 iso 0 dist 8.44483 9.46833 14.0747 6.00783 8.55252 6.52671 numMergedOcc 0
16 mol 169 unq 1 iso 0 dist 9.79864 9.46833 11.1911 6.00783 5.37021 6.52671 numMergedOcc 0
17 mol 169 unq 2 iso 0 dist 9.73241 9.46833 9.31064 6.00783 8.90362 6.52671 numMergedOcc 0
18 mol 171 unq 0 iso 0 dist 8.59783 6.07091 9.22906 6.51523 9.12839 7.5383 numMergedOcc 0
19 mol 219 unq 0 iso 0 dist 7.13496 4.87446 4.95329 9.74779 12.6546 8.8527 numMergedOcc 0
20 mol 219 unq 1 iso 0 dist 7.13496 7.49235 4.26247 9.74779 12.6546 11.4193 numMergedOcc 0
21 mol 237 unq 0 iso 0 dist 9.18638 9.42743 15.4677 9.58403 5.80771 11.815 numMergedOcc 0
22 mol 237 unq 1 iso 0 dist 9.18638 9.5822 4.37008 9.58403 5.80771 7.94861 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 7.82564 9.94315 5.65577 7.13727 3.68226 7.06793 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 7.82564 9.66555 5.60375 6.96382 3.72761 6.82305 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 9.51177 8.59074 5.65577 8.56975 3.68226 7.06793 numMergedOcc 0
26 mol 238 unq 3 iso 0 dist 9.51177 9.66555 10.42 6.96382 5.17342 6.82305 numMergedOcc 0
27 mol 238 unq 4 iso 0 dist 9.91136 9.94315 10.5703 7.13727 5.17124 7.06793 numMergedOcc 0
28 mol 244 unq 0 iso 0 dist 5.06669 7.65388 11.6777 9.11416 12.7525 6.89444 numMergedOcc 0
29 mol 244 unq 1 iso 0 dist 5.65248 7.65388 7.45211 9.11416 7.99094 6.89444 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 5.30455 9.12507 8.70769 4.95855 6.09466 7.09907 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 5.30455 9.12507 8.70769 7.72489 7.9016 9.71793 numMergedOcc 0
32 mol 259 unq 2 iso 0 dist 7.34794 9.12507 10.0253 4.95855 5.49348 7.09907 numMergedOcc 0
33 mol 259 unq 3 iso 0 dist 7.34794 9.12507 10.0253 7.72489 5.13138 9.71793 numMergedOcc 0
34 mol 292 unq 0 iso 0 dist 8.35169 9.64124 10.1669 5.72473 10.0594 6.80049 numMergedOcc 0
35 mol 292 unq 1 iso 0 dist 8.35169 9.30668 5.58251 5.72473 10.0594 7.8414 numMergedOcc 0
