0 mol 13 unq 0 iso 0 dist 5.04036 6.39939 7.98679 10.8064 6.67016 9.57675 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 5.04036 6.39939 7.98679 11.3536 14.442 8.84159 numMergedOcc 0
2 mol 13 unq 2 iso 0 dist 9.44958 14.2898 7.98679 5.4424 6.67016 9.57675 numMergedOcc 0
3 mol 13 unq 3 iso 0 dist 9.44958 14.2898 7.98679 21.9923 14.442 8.84159 numMergedOcc 0
4 mol 52 unq 0 iso 0 dist 9.46302 5.51146 9.80143 14.3942 11.107 9.89706 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 5.9644 3.72318 5.53589 7.89201 5.44629 9.22331 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.53468 4.79924 7.62738 11.1323 6.28525 9.53327 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 6.53468 4.79924 7.62738 5.68726 5.9876 9.71873 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 5.90954 9.80492 7.62738 11.6465 6.28525 9.53327 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 5.90954 9.80492 7.62738 7.46882 5.9876 9.71873 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 5.82501 3.88006 7.42482 10.7569 11.0397 7.78223 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 6.1835 6.49348 7.12072 9.44788 6.40944 5.58734 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 9.27951 6.71699 6.03352 15.089 9.0525 9.37051 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 6.62468 12.1443 9.13191 13.8382 9.65804 5.96506 numMergedOcc 0
14 mol 162 unq 0 iso 0 dist 8.48559 7.15755 7.14263 9.51731 5.16577 8.62413 numMergedOcc 0
15 mol 163 unq 0 iso 0 dist 9.3832 4.04072 9.79069 9.48142 13.5919 9.57242 numMergedOcc 0
16 mol 163 unq 1 iso 0 dist 6.0247 12.5525 9.79069 18.5305 13.5919 9.57242 numMergedOcc 0
17 mol 163 unq 2 iso 0 dist 6.40873 8.81556 9.79069 15.9651 13.5919 9.57242 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 9.12296 5.96987 5.60528 10.4792 10.9098 6.53696 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 7.71972 6.70266 7.79704 13.604 12.5565 8.30714 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 9.76049 6.70266 9.39276 13.604 16.5768 8.30714 numMergedOcc 0
21 mol 274 unq 2 iso 0 dist 7.65671 4.36131 8.2997 10.9157 16.9837 9.02661 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 5.70326 9.45482 8.81717 12.3865 7.23731 9.55366 numMergedOcc 0
