0 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 4.32034 7.33768 9.69752 8.52463 7.29868 9.36461 10.2653 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.86014 6.60423 6.00575 8.67951 9.01567 12.7806 4.32034 7.33768 9.69752 7.88693 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.86014 6.60423 6.00575 8.67951 9.01567 12.7806 8.52463 7.29868 9.36461 6.16544 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 6.86014 6.60423 6.00575 8.52463 7.29868 9.36461 4.32034 7.33768 9.69752 10.2653 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 8.86116 6.60423 5.97304 8.52463 8.60554 9.36461 4.32034 12.9284 9.69752 10.2653 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 8.86116 6.60423 5.97304 10.971 8.44664 11.9865 4.32034 12.9284 9.69752 14.955 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 8.86116 6.60423 5.97304 10.971 8.44664 11.9865 8.52463 8.60554 9.36461 14.1496 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 8.86116 6.60423 5.97304 13.4893 9.44691 14.4545 4.32034 12.9284 9.69752 16.7006 numMergedOcc 0
8 mol 24 unq 8 iso 0 dist 8.86116 6.60423 5.97304 13.4893 9.44691 14.4545 8.52463 8.60554 9.36461 9.62033 numMergedOcc 0
9 mol 24 unq 9 iso 0 dist 5.54419 4.93188 4.33963 5.11617 8.4051 4.90592 10.8238 8.75662 8.16324 9.62033 numMergedOcc 0
10 mol 24 unq 10 iso 0 dist 5.54419 4.93188 4.33963 13.1779 8.23446 9.32328 5.11617 8.4051 4.90592 14.1082 numMergedOcc 0
11 mol 24 unq 11 iso 0 dist 5.54419 4.93188 4.33963 13.1779 8.23446 9.32328 10.8238 8.75662 8.16324 11.342 numMergedOcc 0
12 mol 24 unq 12 iso 0 dist 5.54419 4.93188 4.33963 10.8238 8.75662 8.16324 5.11617 8.4051 4.90592 9.62033 numMergedOcc 0
13 mol 24 unq 13 iso 0 dist 7.36323 9.24958 4.33963 13.2229 8.4051 4.90592 6.7828 8.75662 8.16324 9.62033 numMergedOcc 0
14 mol 24 unq 14 iso 0 dist 7.36323 9.24958 4.33963 6.38336 8.23446 9.32328 13.2229 8.4051 4.90592 14.1082 numMergedOcc 0
15 mol 24 unq 15 iso 0 dist 7.36323 9.24958 4.33963 6.38336 8.23446 9.32328 6.7828 8.75662 8.16324 11.342 numMergedOcc 0
16 mol 24 unq 16 iso 0 dist 7.36323 9.24958 4.33963 6.7828 8.75662 8.16324 13.2229 8.4051 4.90592 9.62033 numMergedOcc 0
17 mol 85 unq 0 iso 0 dist 7.95579 8.00777 5.08358 10.2865 7.54568 12.1999 11.165 12.0078 8.70863 16.524 numMergedOcc 0
18 mol 85 unq 1 iso 0 dist 6.19965 7.1589 5.08358 8.09967 7.54568 12.1999 9.29301 12.0078 8.70863 16.524 numMergedOcc 0
19 mol 100 unq 0 iso 0 dist 7.47343 7.12017 12.6602 12.2861 8.30845 13.9603 9.75737 16.5404 9.5669 18.5251 numMergedOcc 0
20 mol 100 unq 1 iso 0 dist 7.47343 7.12017 12.6602 15.5385 8.76378 21.4058 9.75737 16.5404 9.5669 23.9724 numMergedOcc 0
21 mol 119 unq 0 iso 0 dist 8.73993 7.77116 3.78311 7.20179 6.52773 8.8562 9.89358 9.23858 7.91683 12.3703 numMergedOcc 0
22 mol 119 unq 1 iso 0 dist 8.73993 7.77116 3.78311 9.89358 9.23858 7.91683 7.20179 6.52773 8.8562 12.3703 numMergedOcc 0
23 mol 126 unq 0 iso 0 dist 6.06638 9.46588 5.5703 6.0268 6.30546 5.94233 8.01268 10.0699 8.56219 6.71205 numMergedOcc 0
24 mol 129 unq 0 iso 0 dist 5.83384 8.03372 6.67948 10.5488 7.58957 13.9747 4.55551 6.28565 9.94578 7.91034 numMergedOcc 0
25 mol 131 unq 0 iso 0 dist 8.40312 8.86329 5.89022 7.7567 9.90168 5.56627 10.3369 11.8327 8.92828 5.37172 numMergedOcc 0
26 mol 131 unq 1 iso 0 dist 7.12972 8.71039 5.89022 8.23791 9.90168 5.56627 7.92788 11.8327 8.92828 5.37172 numMergedOcc 0
27 mol 131 unq 2 iso 0 dist 7.12972 6.92648 9.32969 8.23791 9.90168 8.50562 7.92788 11.8327 5.44303 5.37172 numMergedOcc 0
28 mol 131 unq 3 iso 0 dist 6.85062 9.29384 9.32969 13.7237 9.90168 8.50562 13.1439 11.8327 5.44303 5.37172 numMergedOcc 0
29 mol 175 unq 0 iso 0 dist 9.29945 8.0154 4.24624 7.27408 9.39352 9.71028 6.29885 10.7017 8.05247 6.91059 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 9.1374 6.51749 13.8722 6.6251 6.2479 10.8541 5.6044 14.2254 7.11785 12.1167 numMergedOcc 0
31 mol 181 unq 1 iso 0 dist 5.98885 6.51749 5.93488 6.6251 7.99195 10.8541 5.6044 9.72611 7.11785 12.1167 numMergedOcc 0
32 mol 181 unq 2 iso 0 dist 9.09537 7.20392 5.93488 10.09 7.99195 10.8541 12.9468 9.72611 7.11785 12.1167 numMergedOcc 0
33 mol 205 unq 0 iso 0 dist 6.03031 8.44861 5.28092 8.15057 6.03688 11.2584 13.0658 9.53629 9.17946 12.0318 numMergedOcc 0
34 mol 205 unq 1 iso 0 dist 7.26832 5.60393 5.28092 12.4957 6.03688 11.2584 14.4523 9.53629 9.17946 12.0318 numMergedOcc 0
35 mol 222 unq 0 iso 0 dist 6.00706 7.862 6.42798 7.75466 9.07471 9.08955 12.1951 9.8062 8.88664 6.85131 numMergedOcc 0
36 mol 222 unq 1 iso 0 dist 6.00706 7.862 6.42798 7.75466 9.07471 9.08955 11.6161 10.6381 7.16819 6.76935 numMergedOcc 0
37 mol 227 unq 0 iso 0 dist 7.55216 5.87815 10.6244 9.32448 7.43071 11.5062 6.67321 13.0798 7.95359 10.7525 numMergedOcc 0
38 mol 227 unq 1 iso 0 dist 7.55216 5.87815 10.6244 6.48027 5.41321 11.0303 6.67321 13.0798 7.95359 12.8418 numMergedOcc 0
