0 mol 44 unq 0 iso 0 dist 7.85573 9.4798 11.6488 11.0282 8.23606 18.6423 10.1746 9.53901 18.4166 6.11297 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 9.06225 6.57826 7.43853 8.04327 7.02854 10.6618 13.42 7.71596 11.3404 8.50377 numMergedOcc 0
2 mol 86 unq 0 iso 0 dist 8.43093 6.94997 5.04401 8.44581 8.39046 6.15896 4.2645 8.63569 8.24791 6.75602 numMergedOcc 0
3 mol 86 unq 1 iso 0 dist 8.43093 6.94997 5.04401 5.52734 8.76689 10.298 4.2645 8.63569 8.24791 6.28603 numMergedOcc 0
4 mol 99 unq 0 iso 0 dist 5.33644 4.74654 5.17028 6.02095 6.81741 9.46619 5.36117 8.23566 8.86001 8.61334 numMergedOcc 0
5 mol 183 unq 0 iso 0 dist 9.92635 7.42108 16.8061 13.34 6.21267 20.7513 15.7519 9.81282 20.7391 13.2623 numMergedOcc 0
6 mol 183 unq 1 iso 0 dist 9.92635 7.42108 16.8061 13.9426 7.41743 20.4808 15.7519 9.81282 20.7391 7.22697 numMergedOcc 0
7 mol 218 unq 0 iso 0 dist 6.2441 8.27907 11.0649 7.15853 4.61671 13.931 6.7488 5.98076 13.6078 6.82687 numMergedOcc 0
8 mol 218 unq 1 iso 0 dist 6.2441 8.27907 11.0649 5.7173 8.44004 10.5954 6.7488 5.98076 13.6078 10.8844 numMergedOcc 0
9 mol 219 unq 0 iso 0 dist 9.52151 7.15624 10.277 7.00921 4.67452 10.6734 6.28221 7.98941 9.69976 7.61939 numMergedOcc 0
10 mol 219 unq 1 iso 0 dist 9.52151 7.15624 10.277 10.3376 9.86916 15.0367 6.28221 7.98941 9.69976 5.58316 numMergedOcc 0
11 mol 226 unq 0 iso 0 dist 8.10096 9.31669 6.05562 6.92911 7.20862 7.45381 12.8829 9.05082 13.6042 15.6116 numMergedOcc 0
12 mol 239 unq 0 iso 0 dist 8.68803 5.66792 7.4709 6.54316 9.59937 11.2238 4.53635 8.01565 6.31114 8.46058 numMergedOcc 0
13 mol 259 unq 0 iso 0 dist 7.97113 8.46351 11.1732 6.92619 8.91916 12.0867 9.69102 9.2772 13.6233 15.0643 numMergedOcc 0
