0 mol 25 unq 0 iso 0 dist 4.71964 9.41386 9.46307 6.44262 7.6114 11.3527 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 4.71964 6.58478 4.99257 6.44262 7.6114 11.9721 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.87762 8.21762 3.39994 12.9926 7.18022 6.24711 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 8.21762 8.87762 3.39994 12.9926 6.24711 7.18022 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 6.86162 9.62656 6.93009 6.60662 9.2898 14.9078 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 5.40287 7.63443 3.6461 6.82279 8.66539 12.2304 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 5.40287 7.63443 3.6461 5.52874 5.38524 8.41778 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 5.40287 7.63443 3.6461 9.02602 8.69057 9.97819 numMergedOcc 0
8 mol 105 unq 0 iso 0 dist 7.85265 9.93514 5.52168 9.7247 9.16718 14.023 numMergedOcc 0
9 mol 105 unq 1 iso 0 dist 7.85265 9.93514 5.52168 6.37983 7.94633 10.9625 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 5.09756 7.44523 6.09215 5.01462 8.90571 12.3127 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 5.09756 7.44523 6.09215 6.15341 6.61112 11.4283 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 8.86035 5.83372 5.77461 7.36035 9.20104 9.58404 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 5.83372 8.86035 5.77461 7.36035 9.58404 9.20104 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 8.54373 9.1027 3.52491 10.362 8.36842 11.4707 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 7.27888 9.0254 8.05944 15.1562 8.1945 14.7849 numMergedOcc 0
16 mol 225 unq 1 iso 0 dist 7.27888 9.0254 8.05944 5.92569 6.50998 9.09424 numMergedOcc 0
17 mol 225 unq 2 iso 0 dist 9.0254 7.27888 8.05944 5.92569 9.09424 6.50998 numMergedOcc 0
18 mol 243 unq 0 iso 0 dist 6.02146 5.91328 4.09189 11.8651 8.67156 10.5333 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 9.93282 8.90555 3.51848 5.69584 5.85442 6.95511 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 9.93282 8.90555 3.51848 15.3167 6.9899 10.4017 numMergedOcc 0
21 mol 259 unq 2 iso 0 dist 8.90555 9.93282 3.51848 6.00315 9.46361 10.3406 numMergedOcc 0
22 mol 259 unq 3 iso 0 dist 8.90555 9.93282 3.51848 5.69584 6.95511 5.85442 numMergedOcc 0
