0 mol 24 unq 0 iso 0 dist 5.42968 10.7171 8.6586 4.30555 8.25818 10.3497 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 7.51631 9.04231 5.57551 8.24064 7.7485 7.27578 numMergedOcc 0
2 mol 101 unq 0 iso 0 dist 9.05284 4.69492 6.67863 7.47175 8.19144 9.54415 numMergedOcc 0
3 mol 113 unq 0 iso 0 dist 6.36631 8.77924 7.96893 5.86518 5.31126 3.74516 numMergedOcc 0
4 mol 113 unq 1 iso 0 dist 6.36631 8.77924 7.96893 4.8668 4.49669 7.32784 numMergedOcc 0
5 mol 113 unq 2 iso 0 dist 6.36631 8.77924 7.96893 8.60367 6.00221 8.46561 numMergedOcc 0
6 mol 128 unq 0 iso 0 dist 4.26814 3.56535 5.38983 5.74684 7.76123 3.81254 numMergedOcc 0
7 mol 128 unq 1 iso 0 dist 4.26814 3.56535 5.38983 5.15271 6.08651 6.13996 numMergedOcc 0
8 mol 128 unq 2 iso 0 dist 4.26814 9.33619 8.46801 5.74684 7.76123 7.67031 numMergedOcc 0
9 mol 128 unq 3 iso 0 dist 4.26814 9.33619 8.46801 5.15271 6.08651 4.62046 numMergedOcc 0
10 mol 128 unq 4 iso 0 dist 7.66528 10.7105 5.38983 10.2523 7.76123 3.81254 numMergedOcc 0
11 mol 128 unq 5 iso 0 dist 7.66528 10.7105 5.38983 5.43682 6.08651 6.13996 numMergedOcc 0
12 mol 128 unq 6 iso 0 dist 7.66528 4.9915 8.46801 10.2523 7.76123 7.67031 numMergedOcc 0
13 mol 128 unq 7 iso 0 dist 7.66528 4.9915 8.46801 5.43682 6.08651 4.62046 numMergedOcc 0
14 mol 128 unq 8 iso 0 dist 9.40919 11.6561 5.38983 11.9584 7.76123 3.81254 numMergedOcc 0
15 mol 128 unq 9 iso 0 dist 9.40919 11.6561 5.38983 7.78871 6.08651 6.13996 numMergedOcc 0
16 mol 128 unq 10 iso 0 dist 9.40919 10.642 8.46801 11.9584 7.76123 7.67031 numMergedOcc 0
17 mol 128 unq 11 iso 0 dist 9.40919 10.642 8.46801 7.78871 6.08651 4.62046 numMergedOcc 0
18 mol 169 unq 0 iso 0 dist 6.85177 9.83306 7.50458 5.73931 5.10589 4.24401 numMergedOcc 0
19 mol 169 unq 1 iso 0 dist 8.88729 9.83306 5.79554 5.73931 4.63336 4.24401 numMergedOcc 0
20 mol 169 unq 2 iso 0 dist 7.07933 14.3008 7.33643 12.9917 6.96715 3.89732 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 9.0495 12.0443 5.17335 10.7268 6.09626 3.71488 numMergedOcc 0
22 mol 254 unq 0 iso 0 dist 8.80049 9.90043 7.89302 13.8734 7.85841 5.81468 numMergedOcc 0
23 mol 254 unq 1 iso 0 dist 8.80049 9.90043 7.89302 15.5851 9.20109 8.51317 numMergedOcc 0
24 mol 260 unq 0 iso 0 dist 4.54064 9.30964 7.88108 8.11438 7.04263 3.43711 numMergedOcc 0
25 mol 260 unq 1 iso 0 dist 4.54064 9.30964 7.88108 3.43932 6.48099 8.84611 numMergedOcc 0
26 mol 260 unq 2 iso 0 dist 5.33881 13.8952 9.46576 12.1108 8.62655 3.48905 numMergedOcc 0
27 mol 268 unq 0 iso 0 dist 8.24792 5.70686 8.6577 7.87564 9.52476 3.43113 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 7.73997 13.5843 8.75619 9.39306 6.53598 10.3346 numMergedOcc 0
29 mol 277 unq 1 iso 0 dist 7.73997 12.0948 5.79925 9.39306 6.53598 10.8296 numMergedOcc 0
30 mol 277 unq 2 iso 0 dist 7.73997 4.16246 8.55906 9.39306 6.53598 8.55356 numMergedOcc 0
31 mol 277 unq 3 iso 0 dist 7.73997 6.69623 5.55523 9.39306 6.53598 10.7151 numMergedOcc 0
32 mol 281 unq 0 iso 0 dist 7.5689 4.63172 9.13909 6.06807 5.33372 9.85344 numMergedOcc 0
33 mol 281 unq 1 iso 0 dist 7.5689 4.63172 9.13909 9.10512 6.56886 9.11195 numMergedOcc 0
34 mol 281 unq 2 iso 0 dist 7.5689 7.02463 4.29351 6.06807 5.33372 3.50686 numMergedOcc 0
35 mol 281 unq 3 iso 0 dist 7.5689 7.02463 4.29351 9.10512 6.56886 7.74065 numMergedOcc 0
36 mol 285 unq 0 iso 0 dist 5.93983 9.78456 6.73396 8.32005 5.88958 7.01472 numMergedOcc 0
37 mol 285 unq 1 iso 0 dist 5.93983 9.78456 6.73396 7.07384 7.78121 11.0045 numMergedOcc 0
38 mol 292 unq 0 iso 0 dist 5.80835 4.7967 8.85506 9.50643 8.07775 12.2 numMergedOcc 0
