0 mol 44 unq 0 iso 0 dist 7.85573 9.64095 7.42925 7.78905 6.07691 9.6782 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 6.21423 4.83412 7.42925 9.44909 6.07691 9.6782 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 9.52763 3.63144 9.78973 7.20538 7.91078 7.16773 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 6.23298 4.31746 6.58279 11.3095 8.69921 9.49144 numMergedOcc 0
4 mol 67 unq 1 iso 0 dist 9.85405 7.58981 6.58279 16.2773 8.69921 9.49144 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 9.87177 4.53047 7.45801 8.06168 4.49951 6.02816 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 6.70925 7.05537 7.45801 8.67532 4.49951 6.02816 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 8.95756 11.9468 7.45801 11.9045 4.49951 6.02816 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.93688 11.6798 7.2131 14.0535 6.82886 5.37007 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 9.93688 12.656 7.44343 11.0291 11.8037 6.95572 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 9.88184 11.0631 7.2131 10.9783 6.82886 5.37007 numMergedOcc 0
11 mol 92 unq 3 iso 0 dist 9.88184 14.9487 7.44343 16.1796 11.8037 6.95572 numMergedOcc 0
12 mol 108 unq 0 iso 0 dist 9.82453 13.9156 8.06774 20.2645 12.692 9.01852 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 9.44788 6.49348 5.58734 6.18763 6.83988 8.00003 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 6.95914 10.9097 8.35864 10.6673 10.4653 9.97343 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 6.95914 10.9097 8.35864 18.782 15.1845 9.70413 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 5.46716 6.3462 5.75595 13.375 11.2897 7.78652 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 9.76275 13.5286 9.62138 19.4318 12.9372 6.46461 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 8.77869 4.13881 9.25835 8.25167 6.71523 6.45896 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 6.09754 8.35349 6.05667 9.90206 6.4623 5.44002 numMergedOcc 0
20 mol 219 unq 0 iso 0 dist 9.52151 12.6614 9.30312 10.5566 10.0509 7.59632 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 6.14732 4.21811 8.61546 11.3366 14.5234 7.43071 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 6.14732 4.21811 8.61546 9.07872 13.552 6.02296 numMergedOcc 0
23 mol 232 unq 0 iso 0 dist 6.11539 6.70882 6.23146 11.3046 13.6402 9.05071 numMergedOcc 0
24 mol 232 unq 1 iso 0 dist 9.71082 14.3107 6.23146 17.5091 13.6402 9.05071 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 8.88613 4.32578 6.86251 9.49136 11.9319 6.36341 numMergedOcc 0
26 mol 235 unq 1 iso 0 dist 8.88613 4.32578 6.86251 10.127 5.19684 6.21292 numMergedOcc 0
27 mol 235 unq 2 iso 0 dist 8.88613 4.32578 6.86251 12.4271 7.00293 9.21736 numMergedOcc 0
28 mol 235 unq 3 iso 0 dist 8.88613 13.1619 6.20377 19.8516 12.3562 9.55668 numMergedOcc 0
29 mol 235 unq 4 iso 0 dist 8.88613 13.1619 6.20377 10.127 5.19684 6.95126 numMergedOcc 0
30 mol 249 unq 0 iso 0 dist 7.279 4.20164 4.68783 6.37672 9.82483 5.48118 numMergedOcc 0
31 mol 249 unq 1 iso 0 dist 7.279 4.20164 4.68783 9.83485 9.54906 7.25858 numMergedOcc 0
32 mol 249 unq 2 iso 0 dist 8.43448 5.93404 4.68783 8.94023 9.82483 5.48118 numMergedOcc 0
33 mol 249 unq 3 iso 0 dist 8.43448 5.93404 4.68783 12.7659 9.54906 7.25858 numMergedOcc 0
34 mol 259 unq 0 iso 0 dist 5.98006 5.61261 9.69025 8.06771 5.71237 7.98231 numMergedOcc 0
35 mol 259 unq 1 iso 0 dist 5.98006 5.61261 9.69025 11.1503 11.8501 7.08526 numMergedOcc 0
36 mol 265 unq 0 iso 0 dist 6.98812 10.7881 7.49913 7.04833 5.56416 6.71375 numMergedOcc 0
37 mol 274 unq 0 iso 0 dist 8.14634 5.15747 9.02661 12.6706 17.306 8.52587 numMergedOcc 0
38 mol 274 unq 1 iso 0 dist 8.14634 5.15747 9.02661 6.55855 10.2307 6.39866 numMergedOcc 0
39 mol 279 unq 0 iso 0 dist 4.75866 4.34346 6.12347 9.34347 9.73122 9.09855 numMergedOcc 0
40 mol 279 unq 1 iso 0 dist 7.87072 6.68035 6.12347 13.7309 9.73122 9.09855 numMergedOcc 0
