0 mol 1 unq 0 iso 0 dist 8.47429 9.35554 14.6429 5.99543 12.7552 9.00903 8.93702 9.45781 9.01967 8.56884 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 6.48746 9.56181 4.96726 7.70414 8.99491 9.67592 11.6368 6.84612 5.3948 8.68586 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 9.2794 6.77833 5.51579 5.33532 13.5946 9.65964 8.06918 11.9871 6.65811 7.92394 numMergedOcc 0
3 mol 70 unq 1 iso 0 dist 9.2794 6.77833 5.51579 5.33532 13.5946 9.65964 7.52623 9.5704 5.47516 9.93423 numMergedOcc 0
4 mol 70 unq 2 iso 0 dist 9.2794 6.77833 5.51579 5.33532 13.5946 9.65964 5.62294 10.9277 11.0952 9.34122 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 8.03407 8.3558 7.17015 15.1474 13.8155 7.4729 13.8802 13.7453 6.99832 5.81965 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 8.03407 8.3558 7.17015 8.66262 11.9838 6.82344 13.8802 13.7453 6.99832 9.70512 numMergedOcc 0
7 mol 92 unq 2 iso 0 dist 6.39759 8.3558 4.52119 15.1474 11.8917 7.4729 13.8802 10.4617 6.99832 5.81965 numMergedOcc 0
8 mol 92 unq 3 iso 0 dist 6.39759 8.3558 4.52119 8.66262 9.79361 6.82344 13.8802 10.4617 6.99832 9.70512 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 6.26722 8.66715 12.7925 14.0905 18.2779 7.11802 12.7291 16.9099 4.68409 7.92688 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 6.26722 9.00172 12.7637 14.0905 18.2779 8.00618 12.7291 16.9099 12.2037 7.92688 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 5.63173 8.95433 5.36939 11.0811 10.8427 7.11802 9.59094 6.2062 4.68409 7.92688 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 8.49649 5.79157 6.36794 13.0109 9.55556 9.86662 11.6044 10.2625 6.17103 8.79571 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 8.49649 5.79157 6.36794 14.1608 12.1043 9.71307 11.6044 10.2625 6.17103 5.42582 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 9.08229 6.53913 5.48405 12.4033 15.1956 9.87651 9.4422 10.9873 6.58937 8.62646 numMergedOcc 0
15 mol 167 unq 1 iso 0 dist 7.99057 6.53913 10.8859 12.4033 18.7619 9.87651 9.4422 12.2296 6.58937 8.62646 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 8.95136 9.25882 10.6076 9.40714 8.87534 7.80463 18.0658 17.2713 13.231 9.19704 numMergedOcc 0
17 mol 209 unq 0 iso 0 dist 6.3344 5.92907 4.1329 5.35615 10.2865 7.56373 5.20111 4.45815 6.43758 9.52027 numMergedOcc 0
18 mol 235 unq 0 iso 0 dist 6.91126 6.45574 6.84447 6.70342 9.11256 5.4638 9.24964 14.9183 9.66021 9.58736 numMergedOcc 0
19 mol 235 unq 1 iso 0 dist 9.48967 6.45574 7.38431 6.70342 7.08539 5.4638 9.24964 4.28284 9.66021 9.58736 numMergedOcc 0
20 mol 235 unq 2 iso 0 dist 6.43002 8.14407 7.38431 6.01036 7.08539 5.4638 5.71896 4.28284 9.66021 9.58736 numMergedOcc 0
21 mol 248 unq 0 iso 0 dist 8.4908 7.40475 11.014 7.63032 13.9803 7.69895 7.96942 8.23532 10.1857 8.50864 numMergedOcc 0
