0 mol 28 unq 0 iso 0 dist 8.24422 9.86409 5.81701 10.5266 9.05939 14.6979 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.99724 9.86409 8.89091 10.5266 9.38747 14.6979 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 6.59376 8.94022 4.70333 4.04985 7.98327 10.356 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 9.46895 6.19304 12.7517 13.7123 7.13608 16.2251 numMergedOcc 0
4 mol 71 unq 0 iso 0 dist 7.12853 8.72533 6.64442 3.843 6.14513 9.14345 numMergedOcc 0
5 mol 71 unq 1 iso 0 dist 6.14513 9.14345 6.64442 3.843 7.12853 8.72533 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 9.225 4.73362 4.98309 8.15383 9.52666 7.3795 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 9.225 9.61367 10.7367 8.15383 9.52666 16.2917 numMergedOcc 0
8 mol 76 unq 2 iso 0 dist 9.52666 7.3795 4.98309 8.15383 9.225 4.73362 numMergedOcc 0
9 mol 96 unq 0 iso 0 dist 7.96523 8.53023 4.0331 6.42012 9.579 9.92798 numMergedOcc 0
10 mol 96 unq 1 iso 0 dist 9.579 9.92798 4.0331 6.42012 7.96523 8.53023 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 6.62952 6.04768 12.2431 5.4823 4.3521 9.40173 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 4.3521 9.40173 12.2431 5.4823 6.62952 6.04768 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 9.02712 9.93309 15.0618 10.1263 9.82274 16.048 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 5.50879 8.32841 5.6621 11.1396 6.69157 6.56065 numMergedOcc 0
15 mol 156 unq 1 iso 0 dist 5.50879 6.00295 6.65278 11.1396 6.69157 10.3001 numMergedOcc 0
16 mol 156 unq 2 iso 0 dist 6.69157 6.10069 7.27063 11.1396 5.50879 12.7365 numMergedOcc 0
17 mol 156 unq 3 iso 0 dist 6.69157 6.56065 5.6621 11.1396 5.50879 8.32841 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 7.08934 7.64707 8.86946 6.25764 9.43135 13.7627 numMergedOcc 0
19 mol 162 unq 1 iso 0 dist 9.68937 8.24791 5.81787 10.1679 6.3981 10.2054 numMergedOcc 0
20 mol 162 unq 2 iso 0 dist 6.3981 9.87543 6.27876 10.1679 9.68937 15.4821 numMergedOcc 0
21 mol 193 unq 0 iso 0 dist 8.71993 6.28889 9.08423 13.1729 7.71716 16.1177 numMergedOcc 0
22 mol 210 unq 0 iso 0 dist 8.94889 8.78652 4.36112 8.21472 8.50367 11.4809 numMergedOcc 0
23 mol 210 unq 1 iso 0 dist 8.94889 9.01437 10.7545 8.21472 8.50367 14.1202 numMergedOcc 0
24 mol 226 unq 0 iso 0 dist 8.24741 6.82883 4.66376 8.0668 5.07958 8.22518 numMergedOcc 0
25 mol 226 unq 1 iso 0 dist 8.24741 6.82883 4.66376 12.401 6.19519 6.02803 numMergedOcc 0
26 mol 226 unq 2 iso 0 dist 8.24741 6.95495 13.3747 8.0668 5.07958 14.6847 numMergedOcc 0
27 mol 226 unq 3 iso 0 dist 8.24741 6.95495 13.3747 12.401 6.19519 15.4825 numMergedOcc 0
28 mol 226 unq 4 iso 0 dist 5.07958 8.22518 4.66376 8.0668 8.24741 6.82883 numMergedOcc 0
29 mol 226 unq 5 iso 0 dist 5.07958 8.22518 4.66376 9.9701 6.19519 6.02803 numMergedOcc 0
30 mol 226 unq 6 iso 0 dist 6.19519 6.02803 4.66376 12.401 8.24741 6.82883 numMergedOcc 0
31 mol 226 unq 7 iso 0 dist 6.19519 6.02803 4.66376 9.9701 5.07958 8.22518 numMergedOcc 0
32 mol 261 unq 0 iso 0 dist 9.38192 9.88841 5.52134 10.4134 6.99444 10.4512 numMergedOcc 0
33 mol 273 unq 0 iso 0 dist 7.84151 8.16005 11.4694 6.91672 7.346 14.3828 numMergedOcc 0
34 mol 277 unq 0 iso 0 dist 6.40125 7.88238 11.8 11.8204 7.25282 17.5131 numMergedOcc 0
35 mol 279 unq 0 iso 0 dist 7.14122 7.61501 6.2981 7.00034 8.52827 11.9352 numMergedOcc 0
