0 mol 8 unq 0 iso 0 dist 8.99126 5.02333 8.94096 11.8288 14.5611 7.12263 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.99126 5.02333 8.94096 7.8922 6.69972 5.00267 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.47421 3.98483 8.04924 8.83269 6.81435 5.55437 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 6.33889 11.0722 9.82483 9.78006 10.4204 5.55437 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 9.87449 7.51034 8.22285 7.032 6.93413 5.38458 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 9.75144 6.00575 8.62284 10.7114 11.3767 9.38831 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 8.39016 8.89062 7.54496 10.684 10.2107 7.51138 numMergedOcc 0
7 mol 90 unq 1 iso 0 dist 8.39016 8.89062 7.54496 16.047 10.6903 9.86843 numMergedOcc 0
8 mol 90 unq 2 iso 0 dist 8.39016 8.89062 7.54496 15.0774 10.968 6.86146 numMergedOcc 0
9 mol 90 unq 3 iso 0 dist 8.39016 8.89062 7.54496 13.5917 5.69605 8.83296 numMergedOcc 0
10 mol 90 unq 4 iso 0 dist 6.99355 10.1287 7.54496 15.1125 10.2107 7.51138 numMergedOcc 0
11 mol 90 unq 5 iso 0 dist 6.99355 10.1287 7.54496 17.0713 10.6903 9.86843 numMergedOcc 0
12 mol 90 unq 6 iso 0 dist 6.99355 10.1287 7.54496 15.8041 10.968 6.86146 numMergedOcc 0
13 mol 90 unq 7 iso 0 dist 6.99355 10.1287 7.54496 10.7293 5.69605 8.83296 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 6.99777 7.3094 9.9928 5.74857 6.03931 8.71286 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 7.39889 9.3046 5.85818 14.7025 8.96522 8.03035 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 9.63176 4.91132 5.85818 7.77116 8.96522 8.03035 numMergedOcc 0
17 mol 119 unq 2 iso 0 dist 6.19042 7.61939 9.87025 13.1741 11.1324 8.03035 numMergedOcc 0
18 mol 119 unq 3 iso 0 dist 7.44174 7.61939 5.85818 13.1741 8.96522 8.03035 numMergedOcc 0
19 mol 119 unq 4 iso 0 dist 8.43904 10.326 9.87025 12.6868 11.1324 8.03035 numMergedOcc 0
20 mol 140 unq 0 iso 0 dist 8.19104 8.83949 8.01587 5.39064 5.39245 6.98813 numMergedOcc 0
21 mol 140 unq 1 iso 0 dist 8.19104 8.83949 8.01587 13.5908 9.56001 5.39314 numMergedOcc 0
22 mol 147 unq 0 iso 0 dist 8.33261 12.6979 7.01133 16.9997 11.2831 9.23528 numMergedOcc 0
23 mol 156 unq 0 iso 0 dist 6.88137 7.7635 7.04913 11.0871 6.6213 4.9941 numMergedOcc 0
24 mol 163 unq 0 iso 0 dist 9.19209 3.89889 5.92747 8.5043 8.26893 8.23605 numMergedOcc 0
25 mol 184 unq 0 iso 0 dist 9.52936 8.41716 6.21206 13.4429 4.05428 9.05835 numMergedOcc 0
26 mol 184 unq 1 iso 0 dist 9.15417 5.72305 6.21206 12.3955 4.05428 9.05835 numMergedOcc 0
27 mol 218 unq 0 iso 0 dist 7.18041 5.7776 6.86795 11.6573 6.08698 8.93185 numMergedOcc 0
28 mol 218 unq 1 iso 0 dist 7.18041 5.282 6.23898 11.6573 6.08698 8.22792 numMergedOcc 0
29 mol 218 unq 2 iso 0 dist 7.17547 5.7776 6.61099 11.6573 13.6339 8.93185 numMergedOcc 0
30 mol 218 unq 3 iso 0 dist 7.13323 9.97783 6.61099 18.3561 13.6339 8.93185 numMergedOcc 0
31 mol 227 unq 0 iso 0 dist 8.17891 10.5813 7.1372 8.38865 5.92529 9.56257 numMergedOcc 0
32 mol 227 unq 1 iso 0 dist 6.95902 7.22396 7.1372 5.4694 5.92529 9.56257 numMergedOcc 0
33 mol 238 unq 0 iso 0 dist 7.67322 11.0349 7.61203 17.2012 10.6355 9.89583 numMergedOcc 0
34 mol 238 unq 1 iso 0 dist 9.68513 5.87253 9.47845 6.4398 6.48619 9.89583 numMergedOcc 0
35 mol 238 unq 2 iso 0 dist 9.29858 10.7551 9.47845 7.32982 6.48619 9.89583 numMergedOcc 0
36 mol 238 unq 3 iso 0 dist 9.90142 10.7508 6.92409 6.66971 5.8333 9.89583 numMergedOcc 0
37 mol 238 unq 4 iso 0 dist 5.9216 5.87253 6.92409 6.4398 5.8333 9.89583 numMergedOcc 0
38 mol 238 unq 5 iso 0 dist 7.49471 13.0113 6.89694 20.0741 16.1577 9.89583 numMergedOcc 0
39 mol 238 unq 6 iso 0 dist 7.19008 11.0349 6.89694 17.2012 16.1577 9.89583 numMergedOcc 0
40 mol 284 unq 0 iso 0 dist 8.41504 6.4399 8.27054 13.1486 12.9607 7.97588 numMergedOcc 0
41 mol 294 unq 0 iso 0 dist 9.03492 5.25615 8.32473 12.1586 8.73481 7.41079 numMergedOcc 0
