0 mol 16 unq 0 iso 0 dist 9.76968 12.1754 7.63133 17.519 10.454 6.56335 16.6706 13.084 5.5251 7.2668 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 8.70141 4.33963 4.93188 5.80023 7.36323 12.3067 9.24958 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.54519 5.80023 7.36323 8.70141 4.33963 9.24958 13.2653 5.54419 12.3067 4.93188 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.11056 10.4744 8.86116 10.9853 5.97304 6.60423 11.8975 10.5273 7.05502 7.83786 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.88413 5.59268 7.17969 5.97432 10.1525 6.90155 6.17631 12.9968 10.6808 5.81959 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 9.87281 6.17631 7.31767 5.97432 7.63409 5.81959 5.59268 12.4135 10.6808 6.90155 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 7.63928 6.17631 6.03987 5.97432 8.4666 5.81959 5.59268 11.6743 10.6808 6.90155 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 9.7522 15.0931 8.34347 17.8374 10.6756 5.69955 23.2252 17.7357 9.78225 8.6385 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 16.6874 9.06158 9.93832 11.8286 6.20293 8.13395 8.60739 numMergedOcc 0
9 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 16.6874 9.06158 8.60739 11.0096 8.80331 8.13395 9.93832 numMergedOcc 0
10 mol 45 unq 0 iso 0 dist 7.19021 4.18584 6.43774 6.15568 5.73693 6.06454 9.0702 7.2846 5.24762 9.44459 numMergedOcc 0
11 mol 45 unq 1 iso 0 dist 7.19021 9.0702 7.2846 6.15568 5.73693 9.44459 4.18584 6.43774 5.24762 6.06454 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 6.58793 10.1919 7.95579 11.4371 5.08358 8.00777 9.21014 6.19965 4.26409 7.1589 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 6.58793 9.21014 6.19965 11.4371 5.08358 7.1589 10.1919 7.95579 4.26409 8.00777 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 7.15985 6.68714 9.60462 10.7968 17.3924 9.92283 9.42867 13.9874 5.0812 6.43433 numMergedOcc 0
15 mol 112 unq 1 iso 0 dist 7.15985 6.68714 9.60462 7.98999 3.98564 7.23962 10.8795 11.192 7.03147 9.00067 numMergedOcc 0
16 mol 112 unq 2 iso 0 dist 7.15985 6.68714 9.60462 7.98999 3.98564 7.23962 13.2606 10.9806 11.4954 9.89499 numMergedOcc 0
17 mol 112 unq 3 iso 0 dist 7.15985 6.68714 9.60462 7.98999 3.98564 7.23962 6.71889 7.45389 7.05226 7.30204 numMergedOcc 0
18 mol 112 unq 4 iso 0 dist 7.15985 6.71889 7.45389 7.98999 3.98564 7.30204 6.68714 9.60462 7.05226 7.23962 numMergedOcc 0
19 mol 112 unq 5 iso 0 dist 7.15985 6.71889 7.45389 7.98999 3.98564 7.30204 10.8795 11.192 5.56241 9.00067 numMergedOcc 0
20 mol 112 unq 6 iso 0 dist 7.15985 6.71889 7.45389 7.98999 3.98564 7.30204 13.2606 10.9806 6.77737 9.89499 numMergedOcc 0
21 mol 131 unq 0 iso 0 dist 6.31125 5.6098 8.40312 10.1423 5.89022 8.86329 4.29914 7.12972 5.55373 8.71039 numMergedOcc 0
22 mol 131 unq 1 iso 0 dist 6.31125 4.29914 7.12972 10.1423 5.89022 8.71039 5.6098 8.40312 5.55373 8.86329 numMergedOcc 0
23 mol 131 unq 2 iso 0 dist 6.31125 4.29914 7.12972 10.5132 9.32969 6.92648 11.3123 14.2958 7.58238 9.15431 numMergedOcc 0
24 mol 131 unq 3 iso 0 dist 6.31125 4.29914 7.12972 10.5132 9.32969 6.92648 5.59449 6.85062 6.63273 9.29384 numMergedOcc 0
25 mol 131 unq 4 iso 0 dist 6.31125 5.59449 6.85062 10.5132 9.32969 9.29384 11.3123 14.2958 13.2572 9.15431 numMergedOcc 0
26 mol 131 unq 5 iso 0 dist 6.31125 5.59449 6.85062 10.5132 9.32969 9.29384 4.29914 7.12972 6.63273 6.92648 numMergedOcc 0
27 mol 152 unq 0 iso 0 dist 8.07256 10.4039 8.56324 16.5342 9.35627 9.77552 11.1874 6.70283 7.65448 8.28642 numMergedOcc 0
28 mol 152 unq 1 iso 0 dist 8.07256 11.1874 6.70283 16.5342 9.35627 8.28642 10.4039 8.56324 7.65448 9.77552 numMergedOcc 0
29 mol 205 unq 0 iso 0 dist 5.96555 4.6995 6.03031 10.6084 5.28092 8.44861 10.7091 7.26832 7.38516 5.60393 numMergedOcc 0
30 mol 205 unq 1 iso 0 dist 5.96555 10.7091 7.26832 10.6084 5.28092 5.60393 4.6995 6.03031 7.38516 8.44861 numMergedOcc 0
31 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 18.2547 12.9587 8.38865 14.0536 10.8157 5.22356 5.4694 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 9.94315 12.521 5.72887 16.6013 12.3808 7.32982 19.9928 13.5431 10.0191 6.66971 numMergedOcc 0
33 mol 238 unq 1 iso 0 dist 9.94315 12.521 5.72887 16.6013 12.3808 7.32982 16.7396 12.8711 10.1648 6.4398 numMergedOcc 0
34 mol 238 unq 2 iso 0 dist 8.59074 9.18011 5.72887 13.3717 12.3808 7.32982 17.773 13.5431 10.0191 6.66971 numMergedOcc 0
35 mol 238 unq 3 iso 0 dist 8.59074 9.18011 5.72887 13.3717 12.3808 7.32982 15.3161 12.8711 10.1648 6.4398 numMergedOcc 0
36 mol 238 unq 4 iso 0 dist 6.2365 4.7157 5.72887 10.8216 12.3808 7.32982 14.6666 13.5431 10.0191 6.66971 numMergedOcc 0
37 mol 238 unq 5 iso 0 dist 6.2365 4.7157 5.72887 10.8216 12.3808 7.32982 14.1709 12.8711 10.1648 6.4398 numMergedOcc 0
38 mol 238 unq 6 iso 0 dist 9.66555 12.2428 6.22714 15.1827 10.216 5.64181 18.5965 12.6642 6.85126 7.61393 numMergedOcc 0
39 mol 238 unq 7 iso 0 dist 8.67205 8.66185 6.22714 12.1317 10.216 5.64181 14.1922 12.6642 6.85126 7.61393 numMergedOcc 0
40 mol 258 unq 0 iso 0 dist 5.73834 6.48867 6.60405 11.329 7.42673 6.70815 7.52881 6.42289 7.26417 7.99477 numMergedOcc 0
41 mol 258 unq 1 iso 0 dist 5.73834 7.52881 6.42289 11.329 7.42673 7.99477 6.48867 6.60405 7.26417 6.70815 numMergedOcc 0
42 mol 258 unq 2 iso 0 dist 5.73834 7.52881 6.42289 11.7075 6.44209 7.86627 12.3042 10.1675 5.30627 7.93574 numMergedOcc 0
43 mol 259 unq 0 iso 0 dist 9.12507 5.59901 5.30224 9.30428 7.31951 8.59697 5.41945 11.858 9.98105 8.55558 numMergedOcc 0
44 mol 272 unq 0 iso 0 dist 9.96394 11.5918 8.33638 16.9819 8.7909 8.46061 15.6097 13.2494 8.12676 9.64269 numMergedOcc 0
45 mol 272 unq 1 iso 0 dist 9.96394 11.5918 8.33638 16.9819 8.7909 8.46061 18.3909 13.168 7.34222 6.88809 numMergedOcc 0
