0 mol 26 unq 0 iso 0 dist 9.15677 15.2626 9.61029 16.4682 8.34347 14.3476 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 9.61029 15.2626 9.15677 14.3476 8.34347 16.4682 numMergedOcc 0
2 mol 52 unq 0 iso 0 dist 7.68916 6.17242 7.47417 11.9986 9.80098 8.90624 numMergedOcc 0
3 mol 52 unq 0 iso 1 dist 7.47417 6.17242 7.68916 8.90624 9.80098 11.9986 numMergedOcc 0
4 mol 52 unq 1 iso 0 dist 7.68916 6.17242 7.47417 13.3091 7.34143 13.0115 numMergedOcc 0
5 mol 52 unq 1 iso 1 dist 7.47417 6.17242 7.68916 13.0115 7.34143 13.3091 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 7.67586 10.8184 8.97292 5.03832 6.85766 7.2878 numMergedOcc 0
7 mol 59 unq 0 iso 1 dist 8.97292 10.8184 7.67586 7.2878 6.85766 5.03832 numMergedOcc 0
8 mol 59 unq 1 iso 0 dist 7.67586 10.8184 8.97292 11.7065 7.71095 14.1347 numMergedOcc 0
9 mol 59 unq 1 iso 1 dist 8.97292 10.8184 7.67586 14.1347 7.71095 11.7065 numMergedOcc 0
10 mol 86 unq 0 iso 0 dist 7.26032 7.5835 5.49793 5.91309 9.5497 5.82069 numMergedOcc 0
11 mol 86 unq 0 iso 1 dist 5.49793 7.5835 7.26032 5.82069 9.5497 5.91309 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 5.09688 5.35519 9.26343 9.65979 6.45675 13.666 numMergedOcc 0
13 mol 100 unq 0 iso 1 dist 9.26343 5.35519 5.09688 13.666 6.45675 9.65979 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 5.09688 5.35519 9.26343 12.2879 7.47343 16.4386 numMergedOcc 0
15 mol 100 unq 1 iso 1 dist 9.26343 5.35519 5.09688 16.4386 7.47343 12.2879 numMergedOcc 0
16 mol 100 unq 2 iso 0 dist 5.09688 5.35519 9.26343 10.2364 8.86688 15.5646 numMergedOcc 0
17 mol 100 unq 2 iso 1 dist 9.26343 5.35519 5.09688 15.5646 8.86688 10.2364 numMergedOcc 0
18 mol 182 unq 0 iso 0 dist 6.31492 10.8595 7.8621 7.48422 9.31746 6.98787 numMergedOcc 0
19 mol 182 unq 0 iso 1 dist 7.8621 10.8595 6.31492 6.98787 9.31746 7.48422 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 8.3035 7.54507 9.01896 6.23589 8.82096 7.3913 numMergedOcc 0
21 mol 214 unq 0 iso 1 dist 9.01896 7.54507 8.3035 7.3913 8.82096 6.23589 numMergedOcc 0
22 mol 231 unq 0 iso 0 dist 8.17766 8.23811 9.84965 11.3675 7.37839 14.0116 numMergedOcc 0
23 mol 231 unq 0 iso 1 dist 9.84965 8.23811 8.17766 14.0116 7.37839 11.3675 numMergedOcc 0
24 mol 231 unq 1 iso 0 dist 8.17766 8.23811 9.84965 12.5238 8.40182 16.7305 numMergedOcc 0
25 mol 231 unq 1 iso 1 dist 9.84965 8.23811 8.17766 16.7305 8.40182 12.5238 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 7.13194 7.89598 7.80166 9.05069 5.72887 6.77788 numMergedOcc 0
27 mol 238 unq 0 iso 1 dist 7.80166 7.89598 7.13194 6.77788 5.72887 9.05069 numMergedOcc 0
28 mol 253 unq 0 iso 0 dist 5.76077 11.7205 7.0247 9.0081 9.02271 10.9027 numMergedOcc 0
29 mol 253 unq 0 iso 1 dist 7.0247 11.7205 5.76077 10.9027 9.02271 9.0081 numMergedOcc 0
