0 mol 67 unq 0 iso 0 dist 6.23298 11.8103 9.9348 4.31746 6.58279 11.3953 11.3095 8.69921 17.2917 9.49144 numMergedOcc 0
1 mol 67 unq 1 iso 0 dist 9.85405 10.4042 9.9348 7.58981 6.58279 11.3953 16.2773 8.69921 17.2917 9.49144 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 9.93688 4.71849 9.514 11.6798 7.2131 8.55834 14.0535 6.82886 12.4557 5.37007 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 9.93688 4.71849 9.514 12.656 7.44343 9.50382 11.0291 11.8037 7.4729 6.95572 numMergedOcc 0
4 mol 92 unq 2 iso 0 dist 9.93688 4.32564 7.84888 11.6798 7.2131 8.51055 14.0535 6.82886 10.2618 5.37007 numMergedOcc 0
5 mol 92 unq 3 iso 0 dist 9.93688 4.32564 7.84888 12.656 7.44343 11.3858 11.0291 11.8037 11.862 6.95572 numMergedOcc 0
6 mol 92 unq 4 iso 0 dist 9.88184 9.24395 9.514 11.0631 7.2131 8.55834 10.9783 6.82886 12.4557 5.37007 numMergedOcc 0
7 mol 92 unq 5 iso 0 dist 9.88184 9.24395 9.514 14.9487 7.44343 9.50382 16.1796 11.8037 7.4729 6.95572 numMergedOcc 0
8 mol 92 unq 6 iso 0 dist 9.88184 4.33359 7.84888 11.0631 7.2131 8.51055 10.9783 6.82886 10.2618 5.37007 numMergedOcc 0
9 mol 92 unq 7 iso 0 dist 9.88184 4.33359 7.84888 14.9487 7.44343 11.3858 16.1796 11.8037 11.862 6.95572 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 9.44788 12.7349 8.53368 6.49348 5.58734 6.36778 6.18763 6.83988 13.4378 8.00003 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 5.46716 9.79072 9.61081 6.3462 5.75595 10.0059 13.375 11.2897 10.6877 7.78652 numMergedOcc 0
12 mol 143 unq 1 iso 0 dist 5.46716 5.80488 5.46922 6.3462 5.75595 8.57817 13.375 11.2897 12.7524 7.78652 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 6.09754 4.78067 8.43584 8.35349 6.05667 11.6232 9.90206 6.4623 10.9575 5.44002 numMergedOcc 0
14 mol 227 unq 0 iso 0 dist 6.14732 10.9746 9.18675 4.21811 8.61546 10.8138 11.3366 14.5234 15.6008 7.43071 numMergedOcc 0
15 mol 227 unq 1 iso 0 dist 6.14732 10.9746 9.18675 4.21811 8.61546 10.8138 9.07872 13.552 16.3967 6.02296 numMergedOcc 0
16 mol 232 unq 0 iso 0 dist 6.11539 5.70808 8.68464 6.70882 6.23146 11.776 11.3046 13.6402 14.7654 9.05071 numMergedOcc 0
17 mol 232 unq 1 iso 0 dist 9.71082 4.86949 8.68464 14.3107 6.23146 11.776 17.5091 13.6402 14.7654 9.05071 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 5.98006 6.64729 6.77279 5.61261 9.69025 8.41846 8.06771 5.71237 8.13497 7.98231 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 5.98006 6.64729 6.77279 5.61261 9.69025 8.41846 11.1503 11.8501 10.3935 7.08526 numMergedOcc 0
20 mol 259 unq 2 iso 0 dist 5.98006 9.79538 9.58006 5.61261 9.69025 8.81835 8.06771 5.71237 7.88519 7.98231 numMergedOcc 0
21 mol 259 unq 3 iso 0 dist 5.98006 9.79538 9.58006 5.61261 9.69025 8.81835 11.1503 11.8501 7.46176 7.08526 numMergedOcc 0
22 mol 265 unq 0 iso 0 dist 6.98812 5.58514 9.59213 10.7881 7.49913 13.9888 7.04833 5.56416 12.0259 6.71375 numMergedOcc 0
23 mol 274 unq 0 iso 0 dist 8.14634 4.56913 8.66451 5.15747 9.02661 6.70925 12.6706 17.306 13.9359 8.52587 numMergedOcc 0
24 mol 274 unq 1 iso 0 dist 8.14634 4.56913 8.66451 5.15747 9.02661 6.70925 6.55855 10.2307 10.7806 6.39866 numMergedOcc 0
