0 mol 0 unq 0 iso 0 dist 6.28506 7.79297 5.14913 11.7303 11.903 7.65806 numMergedOcc 0
1 mol 1 unq 0 iso 0 dist 8.47429 9.35554 14.6429 5.99543 12.7552 9.00903 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 9.42607 6.49709 5.8961 5.51815 10.2486 4.61088 numMergedOcc 0
3 mol 11 unq 1 iso 0 dist 6.20956 6.49709 4.73237 5.51815 6.89666 4.61088 numMergedOcc 0
4 mol 14 unq 0 iso 0 dist 8.73962 8.64855 9.18111 15.5387 18.6051 9.58196 numMergedOcc 0
5 mol 14 unq 1 iso 0 dist 8.31896 9.28341 4.05028 5.58255 6.45858 6.38364 numMergedOcc 0
6 mol 18 unq 0 iso 0 dist 9.12848 7.37356 4.25207 7.426 11.0331 9.51761 numMergedOcc 0
7 mol 18 unq 1 iso 0 dist 9.12848 7.37356 4.25207 7.53082 11.4245 7.3094 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 6.01552 5.50504 4.90701 7.62418 11.0419 6.65721 numMergedOcc 0
9 mol 61 unq 1 iso 0 dist 6.01552 5.50504 4.90701 6.53977 8.46556 6.72123 numMergedOcc 0
10 mol 64 unq 0 iso 0 dist 6.48746 9.56181 4.96726 7.70414 8.99491 9.67592 numMergedOcc 0
11 mol 70 unq 0 iso 0 dist 9.2794 6.77833 5.51579 5.33532 13.5946 9.65964 numMergedOcc 0
12 mol 70 unq 1 iso 0 dist 9.91797 9.49626 5.6722 15.643 14.1497 9.65964 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 8.03407 8.3558 7.17015 15.1474 13.8155 7.4729 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 8.03407 8.3558 7.17015 8.66262 11.9838 6.82344 numMergedOcc 0
15 mol 92 unq 2 iso 0 dist 6.39759 8.3558 4.52119 15.1474 11.8917 7.4729 numMergedOcc 0
16 mol 92 unq 3 iso 0 dist 6.39759 8.3558 4.52119 8.66262 9.79361 6.82344 numMergedOcc 0
17 mol 95 unq 0 iso 0 dist 6.82522 8.07365 5.33325 14.1188 9.65047 7.27724 numMergedOcc 0
18 mol 95 unq 1 iso 0 dist 9.89353 6.86713 5.69671 10.3731 12.5791 9.03572 numMergedOcc 0
19 mol 95 unq 2 iso 0 dist 9.89353 6.86713 5.69671 7.4052 13.9545 8.83255 numMergedOcc 0
20 mol 95 unq 3 iso 0 dist 9.89353 6.86713 5.69671 9.70895 9.65047 8.03644 numMergedOcc 0
21 mol 95 unq 4 iso 0 dist 9.35364 7.90775 15.7022 4.16047 12.7234 9.03572 numMergedOcc 0
22 mol 109 unq 0 iso 0 dist 5.93206 9.23803 4.93112 6.32175 8.73648 8.58044 numMergedOcc 0
23 mol 109 unq 1 iso 0 dist 5.93206 8.05028 4.48038 6.32175 8.73648 9.97763 numMergedOcc 0
24 mol 109 unq 2 iso 0 dist 7.73529 9.23803 10.5733 6.32175 12.2141 8.58044 numMergedOcc 0
25 mol 109 unq 3 iso 0 dist 7.73529 8.05028 4.76017 6.32175 12.2141 9.97763 numMergedOcc 0
26 mol 122 unq 0 iso 0 dist 8.3907 8.47907 4.42285 9.75696 9.69426 8.37808 numMergedOcc 0
27 mol 133 unq 0 iso 0 dist 6.26722 8.66715 12.7925 14.0905 18.2779 7.11802 numMergedOcc 0
28 mol 133 unq 1 iso 0 dist 6.26722 9.00172 12.7637 13.2145 14.4659 6.29155 numMergedOcc 0
29 mol 133 unq 2 iso 0 dist 6.26722 9.00172 12.7637 15.719 19.4136 6.80239 numMergedOcc 0
30 mol 133 unq 3 iso 0 dist 6.26722 9.00172 12.7637 14.0905 18.2779 8.00618 numMergedOcc 0
31 mol 133 unq 4 iso 0 dist 5.63173 8.95433 5.36939 11.0811 10.8427 7.11802 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 8.49649 5.79157 6.36794 13.0109 9.55556 9.86662 numMergedOcc 0
33 mol 134 unq 1 iso 0 dist 8.49649 5.79157 6.36794 14.1608 12.1043 9.71307 numMergedOcc 0
34 mol 167 unq 0 iso 0 dist 9.08229 6.53913 5.48405 12.4033 15.1956 9.87651 numMergedOcc 0
35 mol 167 unq 1 iso 0 dist 7.99057 6.53913 10.8859 12.4033 18.7619 9.87651 numMergedOcc 0
36 mol 169 unq 0 iso 0 dist 9.19569 6.28961 4.34424 5.3864 11.5885 8.49164 numMergedOcc 0
37 mol 196 unq 0 iso 0 dist 6.28071 9.79271 4.59462 4.07683 6.87731 9.62191 numMergedOcc 0
38 mol 205 unq 0 iso 0 dist 8.95136 9.25882 10.6076 9.40714 8.87534 7.80463 numMergedOcc 0
39 mol 205 unq 1 iso 0 dist 5.91079 6.11505 4.78067 9.35174 13.2374 9.61492 numMergedOcc 0
40 mol 205 unq 2 iso 0 dist 5.91079 6.11505 4.78067 11.3225 9.34594 7.45763 numMergedOcc 0
41 mol 209 unq 0 iso 0 dist 6.3344 5.92907 4.1329 5.35615 10.2865 7.56373 numMergedOcc 0
42 mol 229 unq 0 iso 0 dist 4.38586 8.53615 8.65216 6.81165 8.6537 8.22528 numMergedOcc 0
43 mol 235 unq 0 iso 0 dist 6.91126 6.45574 6.84447 6.70342 9.11256 5.4638 numMergedOcc 0
44 mol 235 unq 1 iso 0 dist 9.48967 6.45574 7.38431 6.70342 7.08539 5.4638 numMergedOcc 0
45 mol 235 unq 2 iso 0 dist 6.43002 8.14407 7.38431 6.01036 7.08539 5.4638 numMergedOcc 0
46 mol 236 unq 0 iso 0 dist 6.79115 5.77925 4.38595 6.59536 11.3361 8.03456 numMergedOcc 0
47 mol 236 unq 1 iso 0 dist 6.79115 5.77925 4.38595 8.93012 9.89665 6.84306 numMergedOcc 0
48 mol 236 unq 2 iso 0 dist 6.79115 5.77925 4.38595 12.1686 14.0991 9.99038 numMergedOcc 0
49 mol 236 unq 3 iso 0 dist 6.79115 5.77925 4.38595 5.48757 11.8422 9.78037 numMergedOcc 0
50 mol 236 unq 4 iso 0 dist 6.79115 5.77925 4.38595 10.5925 9.05929 8.35971 numMergedOcc 0
51 mol 241 unq 0 iso 0 dist 5.66945 6.90245 6.72492 5.3674 8.40773 7.4631 numMergedOcc 0
52 mol 248 unq 0 iso 0 dist 8.4908 7.40475 11.014 7.63032 13.9803 7.69895 numMergedOcc 0
53 mol 248 unq 1 iso 0 dist 8.4908 7.40475 11.014 6.42334 14.4105 7.21521 numMergedOcc 0
54 mol 248 unq 2 iso 0 dist 8.4908 7.40475 11.014 6.86606 13.4339 8.2965 numMergedOcc 0
55 mol 253 unq 0 iso 0 dist 4.92572 7.38315 9.71999 10.6994 14.983 7.32223 numMergedOcc 0
56 mol 258 unq 0 iso 0 dist 9.45685 9.2067 11.716 9.88911 15.0351 6.42289 numMergedOcc 0
57 mol 261 unq 0 iso 0 dist 8.07113 9.80409 4.49913 4.63237 8.65236 9.14619 numMergedOcc 0
58 mol 261 unq 1 iso 0 dist 8.07113 9.80409 4.49913 6.39263 9.73983 8.45658 numMergedOcc 0
59 mol 278 unq 0 iso 0 dist 8.79625 9.91518 13.5373 12.8387 16.7479 8.44326 numMergedOcc 0
60 mol 278 unq 1 iso 0 dist 9.9609 9.91518 11.4765 12.8387 16.4361 8.44326 numMergedOcc 0
