0 mol 7 unq 0 iso 0 dist 6.72215 8.02892 6.55304 5.38502 9.60499 6.7985 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.72215 8.02892 6.55304 7.39982 10.6581 9.68596 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 5.59773 5.7405 4.29856 10.4238 6.83299 6.14538 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 9.9348 6.58279 11.3953 8.69921 17.2917 9.49144 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.514 7.2131 8.55834 6.82886 12.4557 5.37007 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 9.514 7.44343 9.50382 11.8037 7.4729 6.95572 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 7.84888 7.2131 8.51055 6.82886 10.2618 5.37007 numMergedOcc 0
7 mol 92 unq 3 iso 0 dist 7.84888 7.44343 11.3858 11.8037 11.862 6.95572 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 8.53368 5.58734 6.36778 6.83988 13.4378 8.00003 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.4473 5.80404 5.81428 6.80292 14.0219 9.22232 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 9.61081 5.75595 10.0059 11.2897 10.6877 7.78652 numMergedOcc 0
11 mol 143 unq 1 iso 0 dist 5.46922 5.75595 8.57817 11.2897 12.7524 7.78652 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 7.30021 9.6281 5.4555 5.0966 7.44554 9.44367 numMergedOcc 0
13 mol 156 unq 1 iso 0 dist 7.30021 9.6281 5.4555 5.75141 8.94056 7.90267 numMergedOcc 0
14 mol 156 unq 2 iso 0 dist 6.71202 6.22667 6.03934 9.07974 12.0598 9.44367 numMergedOcc 0
15 mol 156 unq 3 iso 0 dist 6.71202 6.22667 6.03934 5.70205 7.66148 7.90267 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 6.43406 6.66608 5.48529 11.067 9.81747 9.39829 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 6.43406 6.66608 5.48529 5.16386 9.11469 6.41453 numMergedOcc 0
18 mol 182 unq 0 iso 0 dist 7.86625 9.68323 7.68794 5.40949 9.31746 6.73956 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 8.43584 6.05667 11.6232 6.4623 10.9575 5.44002 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 9.72979 6.69623 11.7977 9.0689 12.5958 8.07687 numMergedOcc 0
21 mol 206 unq 1 iso 0 dist 6.97859 6.69623 10.4747 9.0689 14.4763 8.07687 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 9.18675 8.61546 10.8138 14.5234 15.6008 7.43071 numMergedOcc 0
23 mol 227 unq 1 iso 0 dist 9.18675 8.61546 10.8138 13.552 16.3967 6.02296 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 8.68464 6.23146 11.776 13.6402 14.7654 9.05071 numMergedOcc 0
25 mol 237 unq 0 iso 0 dist 9.39201 5.62039 6.72874 7.42147 15.4514 9.20822 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 6.77279 9.69025 8.41846 5.71237 8.13497 7.98231 numMergedOcc 0
27 mol 259 unq 1 iso 0 dist 6.77279 9.69025 8.41846 11.8501 10.3935 7.08526 numMergedOcc 0
28 mol 259 unq 2 iso 0 dist 9.58006 9.69025 8.81835 5.71237 7.88519 7.98231 numMergedOcc 0
29 mol 259 unq 3 iso 0 dist 9.58006 9.69025 8.81835 11.8501 7.46176 7.08526 numMergedOcc 0
30 mol 264 unq 0 iso 0 dist 6.75305 9.14393 5.00209 10.0289 6.24356 7.16853 numMergedOcc 0
31 mol 265 unq 0 iso 0 dist 9.59213 7.49913 13.9888 5.56416 12.0259 6.71375 numMergedOcc 0
32 mol 274 unq 0 iso 0 dist 7.80446 8.30714 13.0115 7.97998 11.9707 7.46394 numMergedOcc 0
33 mol 274 unq 1 iso 0 dist 7.80446 8.30714 13.0115 12.3018 19.5961 9.45514 numMergedOcc 0
34 mol 274 unq 2 iso 0 dist 7.80446 8.30714 13.0115 9.61244 15.2761 8.91672 numMergedOcc 0
35 mol 274 unq 3 iso 0 dist 7.80446 8.30714 13.0115 5.7745 13.0885 7.1729 numMergedOcc 0
36 mol 274 unq 4 iso 0 dist 9.86142 8.30714 11.5044 7.97998 10.3851 7.46394 numMergedOcc 0
37 mol 274 unq 5 iso 0 dist 9.86142 8.30714 11.5044 12.3018 19.313 9.45514 numMergedOcc 0
38 mol 274 unq 6 iso 0 dist 9.86142 8.30714 11.5044 9.61244 16.5774 8.91672 numMergedOcc 0
39 mol 274 unq 7 iso 0 dist 9.86142 8.30714 11.5044 5.7745 13.6107 7.1729 numMergedOcc 0
40 mol 274 unq 8 iso 0 dist 8.66451 9.02661 6.70925 17.306 13.9359 8.52587 numMergedOcc 0
41 mol 274 unq 9 iso 0 dist 8.66451 9.02661 6.70925 10.2307 10.7806 6.39866 numMergedOcc 0
