0 mol 16 unq 0 iso 0 dist 9.76968 12.1754 7.63133 17.519 10.454 6.56335 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 8.70141 4.33963 4.93188 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.54519 5.80023 7.36323 8.70141 4.33963 9.24958 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.11056 10.4744 8.86116 10.9853 5.97304 6.60423 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.88413 5.59268 7.17969 5.97432 10.1525 6.90155 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 9.87281 6.17631 7.31767 5.97432 7.63409 5.81959 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 7.63928 6.17631 6.03987 5.97432 8.4666 5.81959 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 9.7522 15.0931 8.34347 17.8374 10.6756 5.69955 numMergedOcc 0
8 mol 26 unq 1 iso 0 dist 6.88695 5.3315 8.34347 13.1078 13.2876 8.44506 numMergedOcc 0
9 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 16.6874 9.06158 9.93832 numMergedOcc 0
10 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 16.6874 9.06158 8.60739 numMergedOcc 0
11 mol 45 unq 0 iso 0 dist 7.19021 4.18584 6.43774 6.15568 5.73693 6.06454 numMergedOcc 0
12 mol 45 unq 1 iso 0 dist 7.19021 9.0702 7.2846 6.15568 5.73693 9.44459 numMergedOcc 0
13 mol 59 unq 0 iso 0 dist 9.00229 10.1484 8.95999 11.4858 7.29086 9.44501 numMergedOcc 0
14 mol 59 unq 1 iso 0 dist 7.7978 6.8958 7.17396 15.0717 11.0904 8.64015 numMergedOcc 0
15 mol 59 unq 2 iso 0 dist 9.55751 5.85228 7.17396 14.4867 11.0904 8.64015 numMergedOcc 0
16 mol 71 unq 0 iso 0 dist 7.35142 4.93292 7.38797 7.23173 6.6504 7.77916 numMergedOcc 0
17 mol 71 unq 1 iso 0 dist 9.50139 6.53623 7.38797 13.0117 6.6504 7.77916 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 6.58793 10.1919 7.95579 11.4371 5.08358 8.00777 numMergedOcc 0
19 mol 85 unq 1 iso 0 dist 6.58793 9.21014 6.19965 11.4371 5.08358 7.1589 numMergedOcc 0
20 mol 109 unq 0 iso 0 dist 8.73648 4.93112 8.58044 10.3897 5.54205 8.89913 numMergedOcc 0
21 mol 112 unq 0 iso 0 dist 7.15985 6.68714 9.60462 10.7968 17.3924 9.92283 numMergedOcc 0
22 mol 112 unq 1 iso 0 dist 7.15985 6.68714 9.60462 7.98999 3.98564 7.23962 numMergedOcc 0
23 mol 112 unq 2 iso 0 dist 7.15985 6.71889 7.45389 7.98999 3.98564 7.30204 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 11.9843 5.61704 5.72642 numMergedOcc 0
25 mol 115 unq 1 iso 0 dist 5.02717 11.0268 7.88312 11.1443 7.21418 5.74857 numMergedOcc 0
26 mol 115 unq 2 iso 0 dist 4.98864 10.9437 7.88312 11.2871 7.3094 5.72642 numMergedOcc 0
27 mol 115 unq 3 iso 0 dist 7.95871 12.0354 7.88312 14.361 7.3094 5.72642 numMergedOcc 0
28 mol 119 unq 0 iso 0 dist 5.63005 10.5268 8.73993 9.15988 3.78311 7.77116 numMergedOcc 0
29 mol 129 unq 0 iso 0 dist 6.38163 10.0961 5.83384 11.14 6.67948 8.03372 numMergedOcc 0
30 mol 130 unq 0 iso 0 dist 5.49877 3.96103 8.70949 7.39532 5.97111 8.33077 numMergedOcc 0
31 mol 131 unq 0 iso 0 dist 6.31125 5.6098 8.40312 10.1423 5.89022 8.86329 numMergedOcc 0
32 mol 131 unq 1 iso 0 dist 6.31125 4.29914 7.12972 10.1423 5.89022 8.71039 numMergedOcc 0
33 mol 131 unq 2 iso 0 dist 6.31125 4.29914 7.12972 10.5132 9.32969 6.92648 numMergedOcc 0
34 mol 131 unq 3 iso 0 dist 6.31125 5.59449 6.85062 10.5132 9.32969 9.29384 numMergedOcc 0
35 mol 133 unq 0 iso 0 dist 5.82404 10.2385 6.29155 10.8945 5.74088 6.76699 numMergedOcc 0
36 mol 152 unq 0 iso 0 dist 8.07256 10.4039 8.56324 16.5342 9.35627 9.77552 numMergedOcc 0
37 mol 152 unq 1 iso 0 dist 8.07256 11.1874 6.70283 16.5342 9.35627 8.28642 numMergedOcc 0
38 mol 205 unq 0 iso 0 dist 5.96555 4.6995 6.03031 10.6084 5.28092 8.44861 numMergedOcc 0
39 mol 205 unq 1 iso 0 dist 5.96555 10.7091 7.26832 10.6084 5.28092 5.60393 numMergedOcc 0
40 mol 210 unq 0 iso 0 dist 8.62103 3.84723 6.18308 7.31388 9.59996 5.37446 numMergedOcc 0
41 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 18.2547 12.9587 8.38865 numMergedOcc 0
42 mol 232 unq 0 iso 0 dist 9.29752 9.60401 8.27212 10.1474 8.25884 7.83711 numMergedOcc 0
43 mol 236 unq 0 iso 0 dist 9.89665 11.247 7.68742 16.2625 9.05842 8.50331 numMergedOcc 0
44 mol 236 unq 1 iso 0 dist 5.66569 4.15973 6.27581 8.38439 7.00028 8.50331 numMergedOcc 0
45 mol 236 unq 2 iso 0 dist 6.11137 9.01197 6.27581 9.30828 7.00028 8.50331 numMergedOcc 0
46 mol 238 unq 0 iso 0 dist 9.94315 12.521 5.72887 16.6013 12.3808 7.32982 numMergedOcc 0
47 mol 238 unq 1 iso 0 dist 8.59074 9.18011 5.72887 13.3717 12.3808 7.32982 numMergedOcc 0
48 mol 238 unq 2 iso 0 dist 6.2365 4.7157 5.72887 10.8216 12.3808 7.32982 numMergedOcc 0
49 mol 238 unq 3 iso 0 dist 9.66555 12.2428 6.22714 15.1827 10.216 5.64181 numMergedOcc 0
50 mol 238 unq 4 iso 0 dist 8.67205 8.66185 6.22714 12.1317 10.216 5.64181 numMergedOcc 0
51 mol 258 unq 0 iso 0 dist 5.73834 6.48867 6.60405 11.329 7.42673 6.70815 numMergedOcc 0
52 mol 258 unq 1 iso 0 dist 5.73834 7.52881 6.42289 11.329 7.42673 7.99477 numMergedOcc 0
53 mol 258 unq 2 iso 0 dist 5.73834 7.52881 6.42289 11.7075 6.44209 7.86627 numMergedOcc 0
54 mol 259 unq 0 iso 0 dist 9.12507 5.59901 5.30224 9.30428 7.31951 8.59697 numMergedOcc 0
55 mol 272 unq 0 iso 0 dist 9.64596 5.26991 8.48753 12.6659 6.59863 9.05222 numMergedOcc 0
56 mol 272 unq 1 iso 0 dist 9.96394 11.5918 8.33638 16.9819 8.7909 8.46061 numMergedOcc 0
57 mol 274 unq 0 iso 0 dist 9.71801 5.9882 7.56915 7.65671 5.90436 9.56685 numMergedOcc 0
58 mol 274 unq 1 iso 0 dist 9.71801 5.9882 7.56915 7.3996 9.27829 8.49922 numMergedOcc 0
