0 mol 14 unq 0 iso 0 dist 8.74842 8.73962 5.00474 8.64855 12.647 9.18111 15.5387 21.3885 18.6051 9.58196 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 7.20998 6.01552 3.60123 5.50504 8.2572 4.90701 7.62418 13.6976 11.0419 6.65721 numMergedOcc 0
2 mol 61 unq 1 iso 0 dist 7.20998 6.01552 3.60123 5.50504 8.2572 4.90701 6.53977 9.99643 8.46556 6.72123 numMergedOcc 0
3 mol 70 unq 0 iso 0 dist 9.28709 9.2794 9.10017 6.77833 6.95018 5.51579 5.33532 9.74268 13.5946 9.65964 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 5.99463 9.35364 5.17317 7.90775 10.7626 15.7022 4.16047 10.0474 12.7234 9.03572 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 8.19835 5.93206 5.28557 9.23803 7.56278 4.93112 6.32175 11.7158 8.73648 8.58044 numMergedOcc 0
6 mol 109 unq 1 iso 0 dist 8.19835 5.93206 5.28557 8.05028 9.56292 4.48038 6.32175 11.7158 8.73648 9.97763 numMergedOcc 0
7 mol 109 unq 2 iso 0 dist 8.19835 7.73529 9.66892 9.23803 7.56278 10.5733 6.32175 11.7158 12.2141 8.58044 numMergedOcc 0
8 mol 109 unq 3 iso 0 dist 8.19835 7.73529 9.66892 8.05028 9.56292 4.76017 6.32175 11.7158 12.2141 9.97763 numMergedOcc 0
9 mol 122 unq 0 iso 0 dist 6.12598 8.3907 8.66482 8.47907 11.4252 4.42285 9.75696 12.9159 9.69426 8.37808 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 8.86332 5.63173 4.77272 8.95433 8.27211 5.36939 11.0811 13.4206 10.8427 7.11802 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 9.17599 8.49649 13.5421 5.79157 7.18189 6.36794 13.0109 14.0084 9.55556 9.86662 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 9.17599 8.49649 13.5421 5.79157 7.18189 6.36794 14.1608 11.4082 12.1043 9.71307 numMergedOcc 0
13 mol 134 unq 2 iso 0 dist 8.78704 8.49649 9.3059 5.79157 5.87684 6.36794 13.0109 15.2052 9.55556 9.86662 numMergedOcc 0
14 mol 134 unq 3 iso 0 dist 8.78704 8.49649 9.3059 5.79157 5.87684 6.36794 14.1608 14.2343 12.1043 9.71307 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 5.7126 9.08229 13.3242 6.53913 9.26656 5.48405 12.4033 10.9735 15.1956 9.87651 numMergedOcc 0
16 mol 167 unq 1 iso 0 dist 5.7126 7.99057 10.1682 6.53913 9.26656 10.8859 12.4033 10.9735 18.7619 9.87651 numMergedOcc 0
17 mol 196 unq 0 iso 0 dist 8.24466 6.28071 4.73252 9.79271 8.25647 4.59462 4.07683 10.2259 6.87731 9.62191 numMergedOcc 0
18 mol 248 unq 0 iso 0 dist 8.2748 8.4908 8.43114 7.40475 6.21372 11.014 7.63032 12.8567 13.9803 7.69895 numMergedOcc 0
19 mol 248 unq 1 iso 0 dist 8.2748 8.4908 8.43114 7.40475 6.21372 11.014 6.42334 10.9878 14.4105 7.21521 numMergedOcc 0
20 mol 248 unq 2 iso 0 dist 8.2748 8.4908 8.43114 7.40475 6.21372 11.014 6.86606 8.34646 13.4339 8.2965 numMergedOcc 0
21 mol 278 unq 0 iso 0 dist 9.03526 8.79625 17.6708 9.91518 11.4295 13.5373 12.8387 13.6722 16.7479 8.44326 numMergedOcc 0
22 mol 278 unq 1 iso 0 dist 9.03526 9.9609 4.91961 9.91518 11.4295 11.4765 12.8387 13.6722 16.4361 8.44326 numMergedOcc 0
23 mol 278 unq 2 iso 0 dist 8.03252 8.79625 13.4866 9.91518 17.5675 13.5373 12.8387 19.8601 16.7479 8.44326 numMergedOcc 0
24 mol 278 unq 3 iso 0 dist 8.03252 9.9609 12.3196 9.91518 17.5675 11.4765 12.8387 19.8601 16.4361 8.44326 numMergedOcc 0
