0 mol 59 unq 0 iso 0 dist 5.70814 7.7978 6.34264 3.60121 5.58384 9.55751 6.8958 6.48625 7.17396 5.85228 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 5.58384 9.55751 6.34264 3.60121 5.70814 7.7978 5.85228 6.48625 7.17396 6.8958 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 9.67403 8.46556 11.5608 15.8202 7.28917 18.1412 4.90701 9.62468 6.72123 16.7918 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 6.23298 9.46247 10.8254 5.32316 9.85405 14.1308 11.8103 9.9348 19.9982 10.4042 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 5.58346 6.18305 5.2774 9.96948 9.66744 12.9661 4.69583 6.89722 6.19304 8.59095 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 7.66832 8.73648 5.5332 6.14668 8.11083 12.2141 9.47324 8.21889 7.34473 12.7688 numMergedOcc 0
6 mol 109 unq 1 iso 0 dist 7.66832 8.73648 5.5332 6.14668 8.11083 12.2141 4.93112 9.74643 8.58044 10.5733 numMergedOcc 0
7 mol 109 unq 2 iso 0 dist 7.66832 8.73648 5.5332 6.14668 8.11083 12.2141 4.48038 6.86702 9.97763 4.76017 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 5.43052 8.181 9.01856 4.7071 6.70591 12.3607 9.24029 7.21229 14.5056 6.12546 numMergedOcc 0
9 mol 110 unq 1 iso 0 dist 5.43052 8.181 9.01856 4.7071 6.70591 12.3607 8.50777 5.25492 14.1413 6.39786 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 6.85651 9.3894 8.00493 7.57921 7.03858 14.1938 4.84607 8.84018 6.5107 11.981 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 6.23615 9.50322 14.5344 10.5425 9.21256 12.969 4.64588 6.11955 12.6651 13.46 numMergedOcc 0
12 mol 133 unq 2 iso 0 dist 6.23615 9.50322 14.5344 12.3753 8.3243 16.8036 4.64588 6.11955 12.6651 13.7612 numMergedOcc 0
13 mol 133 unq 3 iso 0 dist 6.23615 9.50322 14.5344 14.0664 8.95239 19.4418 4.64588 6.11955 12.6651 12.9605 numMergedOcc 0
14 mol 133 unq 4 iso 0 dist 6.23615 5.82404 7.96098 10.5425 9.21256 9.84918 4.64588 6.11955 6.80239 13.46 numMergedOcc 0
15 mol 133 unq 5 iso 0 dist 6.23615 5.82404 7.96098 12.3753 8.3243 11.3707 4.64588 6.11955 6.80239 13.7612 numMergedOcc 0
16 mol 133 unq 6 iso 0 dist 6.23615 5.82404 7.96098 14.0664 8.95239 11.8159 4.64588 6.11955 6.80239 12.9605 numMergedOcc 0
17 mol 180 unq 0 iso 0 dist 5.43774 9.88732 9.76368 5.33436 8.31061 5.77949 6.54937 8.44989 9.62337 6.91082 numMergedOcc 0
18 mol 180 unq 1 iso 0 dist 8.31061 5.77949 9.76368 5.33436 5.43774 9.88732 6.91082 8.44989 9.62337 6.54937 numMergedOcc 0
19 mol 197 unq 0 iso 0 dist 5.79753 8.3337 8.69245 10.6986 7.56537 12.045 13.0113 8.64255 11.6759 4.57437 numMergedOcc 0
20 mol 197 unq 1 iso 0 dist 5.79753 5.41292 4.6678 10.6986 7.56537 11.7166 13.0113 8.64255 12.1443 4.57437 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 5.22111 9.12507 12.3218 5.25523 8.53598 9.57887 5.41945 7.93997 11.858 10.2837 numMergedOcc 0
22 mol 264 unq 0 iso 0 dist 9.8799 7.36905 13.9464 14.4112 8.05522 20.4776 12.5841 6.28512 18.4752 4.75604 numMergedOcc 0
23 mol 264 unq 1 iso 0 dist 9.8799 7.36905 13.9464 14.4112 8.05522 20.4776 11.079 9.01085 18.0999 5.428 numMergedOcc 0
24 mol 264 unq 2 iso 0 dist 9.8799 6.83408 5.11257 14.4112 8.05522 12.5282 12.5841 6.28512 10.6405 4.75604 numMergedOcc 0
25 mol 264 unq 3 iso 0 dist 9.8799 6.83408 5.11257 14.4112 8.05522 12.5282 11.079 9.01085 11.8809 5.428 numMergedOcc 0
