0 mol 16 unq 0 iso 0 dist 8.46837 5.66529 5.77753 11.8413 5.38671 7.03948 11.958 8.33883 6.2983 5.05803 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.46837 5.66529 5.77753 9.59856 5.45161 5.47769 11.958 8.33883 6.2983 6.31718 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 8.46837 5.66529 5.77753 9.59856 5.45161 5.47769 5.46269 9.79958 5.94084 7.63133 numMergedOcc 0
3 mol 16 unq 3 iso 0 dist 8.46837 5.66529 5.77753 6.84569 6.43294 6.58035 5.46269 9.79958 5.94084 5.46498 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 9.55978 5.72837 9.04865 13.8314 12.4435 8.23643 15.6056 16.8224 11.0832 7.20519 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 9.55978 5.72837 9.04865 13.8314 12.4435 8.23643 12.0578 13.8602 6.55187 4.54938 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 9.55978 5.72837 9.04865 13.8314 12.4435 8.23643 17.7341 18.8997 12.3093 6.864 numMergedOcc 0
7 mol 19 unq 3 iso 0 dist 9.55978 5.72837 9.04865 13.7212 9.84922 8.73972 12.0578 13.8602 6.55187 7.82074 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 7.84699 10.0721 6.4154 10.1112 10.4716 8.70133 5.33851 11.7436 13.4082 9.38498 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 7.84699 10.0721 6.4154 10.1112 10.4716 8.70133 13.4367 6.89722 7.41074 9.96396 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 7.84699 10.0721 6.4154 10.1112 10.4716 8.70133 15.7164 14.4206 15.9882 9.75218 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 7.84699 10.0721 6.4154 6.10011 8.04817 5.64598 8.3449 11.905 9.77992 5.93252 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 7.84699 10.0721 6.4154 8.124 5.2774 4.65521 13.4367 6.89722 7.41074 6.19304 numMergedOcc 0
13 mol 73 unq 5 iso 0 dist 7.53504 13.2987 6.4154 16.3948 10.4716 8.70133 16.8585 11.7436 13.4082 9.38498 numMergedOcc 0
14 mol 73 unq 6 iso 0 dist 7.53504 13.2987 6.4154 16.3948 10.4716 8.70133 9.64124 6.89722 7.41074 9.96396 numMergedOcc 0
15 mol 73 unq 7 iso 0 dist 7.53504 13.2987 6.4154 16.3948 10.4716 8.70133 16.0481 14.4206 15.9882 9.75218 numMergedOcc 0
16 mol 73 unq 8 iso 0 dist 7.53504 13.2987 6.4154 15.5212 8.04817 5.64598 18.9667 11.905 9.77992 5.93252 numMergedOcc 0
17 mol 73 unq 9 iso 0 dist 7.53504 13.2987 6.4154 11.801 5.2774 4.65521 9.64124 6.89722 7.41074 6.19304 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 7.4658 7.36737 8.15367 14.3769 11.9657 8.36431 13.2768 14.7733 10.9701 9.33898 numMergedOcc 0
19 mol 92 unq 1 iso 0 dist 7.4658 7.36737 8.15367 14.3769 11.9657 8.36431 19.208 19.5554 12.4284 9.64443 numMergedOcc 0
20 mol 102 unq 0 iso 0 dist 7.59973 12.7125 9.50209 12.1389 5.54551 9.94856 13.9809 9.80678 5.498 7.36792 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 8.16113 5.97684 5.60716 6.04412 5.71451 6.50039 5.24229 8.81562 5.60178 4.99221 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 7.2067 4.18777 6.84347 11.3009 12.1089 9.31887 13.5368 17.1425 11.0415 9.0018 numMergedOcc 0
23 mol 175 unq 1 iso 0 dist 7.2067 4.18777 6.84347 11.3009 12.1089 9.31887 6.23383 11.1504 5.0384 7.652 numMergedOcc 0
24 mol 214 unq 0 iso 0 dist 5.69733 5.24956 6.35728 11.5105 10.644 7.46831 5.68711 8.49704 6.67959 8.85478 numMergedOcc 0
25 mol 222 unq 0 iso 0 dist 7.10689 4.78647 5.04916 8.5834 4.28891 7.18956 5.01062 8.7347 7.61682 7.54212 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 7.7163 4.92261 8.60781 7.07564 5.63485 6.87664 11.8217 9.34636 7.98696 8.95269 numMergedOcc 0
27 mol 224 unq 1 iso 0 dist 7.7163 4.92261 8.60781 7.07564 5.63485 6.87664 10.8463 9.79616 7.12232 6.57273 numMergedOcc 0
28 mol 224 unq 2 iso 0 dist 7.7163 4.92261 8.60781 7.07564 5.63485 6.87664 5.44863 10.0081 5.3621 5.78342 numMergedOcc 0
29 mol 224 unq 3 iso 0 dist 9.06201 6.78064 8.60781 10.9817 5.63485 6.87664 11.9904 9.34636 7.98696 8.95269 numMergedOcc 0
30 mol 224 unq 4 iso 0 dist 9.06201 6.78064 8.60781 10.9817 5.63485 6.87664 13.0574 9.79616 7.12232 6.57273 numMergedOcc 0
31 mol 224 unq 5 iso 0 dist 9.06201 6.78064 8.60781 10.9817 5.63485 6.87664 10.366 10.0081 5.3621 5.78342 numMergedOcc 0
32 mol 227 unq 0 iso 0 dist 7.99145 10.2228 8.34104 12.9898 14.9329 8.17891 5.841 9.17826 6.43754 7.22101 numMergedOcc 0
33 mol 227 unq 1 iso 0 dist 7.99145 10.2228 8.34104 12.9898 14.9329 8.17891 7.74349 13.0242 9.13836 7.09863 numMergedOcc 0
34 mol 227 unq 2 iso 0 dist 7.99145 10.2228 8.34104 14.1659 13.2783 6.95902 5.841 9.17826 6.43754 8.65997 numMergedOcc 0
35 mol 259 unq 0 iso 0 dist 5.96276 6.34634 5.70124 12.2734 11.9055 6.77938 8.87259 10.5558 4.99891 5.30224 numMergedOcc 0
36 mol 265 unq 0 iso 0 dist 5.10595 6.10503 9.01586 5.3051 5.11366 6.34034 11.4819 12.3211 6.43013 8.4218 numMergedOcc 0
37 mol 274 unq 0 iso 0 dist 9.96645 6.13137 5.12523 11.4986 5.1874 7.97444 6.04536 9.696 6.8406 8.49997 numMergedOcc 0
38 mol 274 unq 1 iso 0 dist 9.2447 5.06306 5.12523 10.1296 5.1874 7.97444 6.12463 9.696 6.8406 8.49997 numMergedOcc 0
