0 mol 7 unq 0 iso 0 dist 7.13259 9.20552 4.78012 15.1647 11.5381 8.41585 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 8.74842 8.64855 12.647 15.5387 21.3885 9.58196 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 5.40648 7.94714 4.52143 11.2303 12.0934 9.04767 numMergedOcc 0
3 mol 14 unq 2 iso 0 dist 8.4114 7.94714 11.1113 11.2303 14.5388 9.04767 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 7.81257 6.84521 7.23774 5.84171 9.16827 5.73819 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 7.81257 8.90024 12.092 13.9129 14.9909 8.80331 numMergedOcc 0
6 mol 43 unq 2 iso 0 dist 7.81257 8.90024 12.092 5.84171 9.16827 6.20293 numMergedOcc 0
7 mol 43 unq 3 iso 0 dist 7.81257 6.78532 10.7423 5.84171 9.16827 8.93915 numMergedOcc 0
8 mol 51 unq 0 iso 0 dist 9.53744 6.67213 5.8664 6.57102 7.7625 9.0709 numMergedOcc 0
9 mol 61 unq 0 iso 0 dist 7.20998 5.50504 8.2572 7.62418 13.6976 6.65721 numMergedOcc 0
10 mol 61 unq 1 iso 0 dist 7.20998 5.50504 8.2572 6.53977 9.99643 6.72123 numMergedOcc 0
11 mol 70 unq 0 iso 0 dist 9.28709 6.77833 6.95018 5.33532 9.74268 9.65964 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 5.99463 7.90775 10.7626 4.16047 10.0474 9.03572 numMergedOcc 0
13 mol 109 unq 0 iso 0 dist 8.19835 9.23803 7.56278 6.32175 11.7158 8.58044 numMergedOcc 0
14 mol 109 unq 1 iso 0 dist 8.19835 8.05028 9.56292 6.32175 11.7158 9.97763 numMergedOcc 0
15 mol 109 unq 2 iso 0 dist 8.74797 9.26438 9.25015 5.68669 12.4372 8.69985 numMergedOcc 0
16 mol 122 unq 0 iso 0 dist 6.12598 8.47907 11.4252 9.75696 12.9159 8.37808 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 8.86332 8.95433 8.27211 11.0811 13.4206 7.11802 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 9.17599 5.79157 7.18189 13.0109 14.0084 9.86662 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 9.17599 5.79157 7.18189 14.1608 11.4082 9.71307 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 8.78704 5.79157 5.87684 13.0109 15.2052 9.86662 numMergedOcc 0
21 mol 134 unq 3 iso 0 dist 8.78704 5.79157 5.87684 14.1608 14.2343 9.71307 numMergedOcc 0
22 mol 167 unq 0 iso 0 dist 5.7126 6.53913 9.26656 12.4033 10.9735 9.87651 numMergedOcc 0
23 mol 196 unq 0 iso 0 dist 8.24466 9.79271 8.25647 4.07683 10.2259 9.62191 numMergedOcc 0
24 mol 197 unq 0 iso 0 dist 8.41937 7.70631 8.75322 12.7195 17.1218 8.56633 numMergedOcc 0
25 mol 236 unq 0 iso 0 dist 7.89041 8.95071 7.41111 18.4732 15.1127 9.99038 numMergedOcc 0
26 mol 236 unq 1 iso 0 dist 7.89041 8.95071 7.41111 12.8358 12.4926 6.27581 numMergedOcc 0
27 mol 241 unq 0 iso 0 dist 9.55401 8.23536 4.99503 5.50714 8.62971 7.4631 numMergedOcc 0
28 mol 248 unq 0 iso 0 dist 8.2748 7.40475 6.21372 7.63032 12.8567 7.69895 numMergedOcc 0
29 mol 248 unq 1 iso 0 dist 8.2748 7.40475 6.21372 6.42334 10.9878 7.21521 numMergedOcc 0
30 mol 248 unq 2 iso 0 dist 8.2748 7.40475 6.21372 6.86606 8.34646 8.2965 numMergedOcc 0
31 mol 278 unq 0 iso 0 dist 9.03526 9.91518 11.4295 12.8387 13.6722 8.44326 numMergedOcc 0
32 mol 278 unq 1 iso 0 dist 8.03252 9.91518 17.5675 12.8387 19.8601 8.44326 numMergedOcc 0
