0 mol 7 unq 0 iso 0 dist 7.5298 14.06 7.21217 15.8199 9.17096 7.31201 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.5298 14.06 7.21217 19.8086 12.4418 9.36807 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.94874 5.77391 7.21217 8.19144 9.17096 7.31201 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 8.94874 5.77391 7.21217 13.0994 12.4418 9.36807 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.58709 9.69698 9.74445 16.4993 12.8035 9.83618 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 7.53564 5.90113 9.74445 14.2386 12.8035 9.83618 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 6.10175 5.65405 5.59773 8.41365 10.352 5.02241 numMergedOcc 0
7 mol 61 unq 0 iso 0 dist 6.85094 7.15161 5.92705 13.6867 7.34319 8.76003 numMergedOcc 0
8 mol 61 unq 1 iso 0 dist 9.94756 18.7183 9.62468 15.5943 6.91052 8.76003 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 4.85152 11.1785 9.514 6.58062 5.02124 5.81965 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 4.85152 10.9352 7.84888 6.58062 5.02124 7.06013 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 8.592 9.52181 8.42445 16.22 10.453 8.71128 numMergedOcc 0
12 mol 117 unq 0 iso 0 dist 5.24519 5.34484 7.70533 11.3437 12.4058 6.62561 numMergedOcc 0
13 mol 126 unq 0 iso 0 dist 9.40608 5.50061 9.54928 10.8729 13.0595 7.75534 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 5.50364 5.29825 8.97145 10.1792 10.4276 6.91348 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 5.50364 5.29825 8.97145 13.4104 14.8011 9.51418 numMergedOcc 0
16 mol 131 unq 2 iso 0 dist 8.7301 5.29825 6.5874 10.1792 4.96935 6.91348 numMergedOcc 0
17 mol 131 unq 3 iso 0 dist 8.7301 5.29825 6.5874 13.4104 7.83921 9.51418 numMergedOcc 0
18 mol 142 unq 0 iso 0 dist 5.1557 6.01403 7.57458 9.14076 5.81429 7.15475 numMergedOcc 0
19 mol 142 unq 1 iso 0 dist 9.5355 8.68855 7.57458 9.15112 5.81429 7.15475 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 8.84852 9.50073 9.10619 16.6251 10.5988 9.13561 numMergedOcc 0
21 mol 156 unq 0 iso 0 dist 6.67598 5.66289 7.30021 9.40225 10.3893 6.27641 numMergedOcc 0
22 mol 156 unq 1 iso 0 dist 8.34508 12.7636 7.30021 16.1608 10.3893 6.27641 numMergedOcc 0
23 mol 175 unq 0 iso 0 dist 8.39634 9.72213 9.00898 18.4765 13.7622 9.52634 numMergedOcc 0
24 mol 214 unq 0 iso 0 dist 5.69733 5.68711 8.49704 12.4978 13.4309 6.97182 numMergedOcc 0
25 mol 214 unq 1 iso 0 dist 5.69733 5.68711 8.49704 11.0481 13.5787 6.1175 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 4.3362 9.20027 7.31105 15.4657 12.3402 6.84247 numMergedOcc 0
27 mol 220 unq 1 iso 0 dist 4.3362 9.20027 7.31105 8.57161 7.84277 6.99002 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 4.99301 5.25583 6.56437 12.1103 11.7838 7.06793 numMergedOcc 0
29 mol 224 unq 1 iso 0 dist 4.99301 5.25583 6.56437 11.055 10.4999 6.67585 numMergedOcc 0
30 mol 224 unq 2 iso 0 dist 6.36813 5.25583 6.23882 12.1103 9.57742 7.06793 numMergedOcc 0
31 mol 224 unq 3 iso 0 dist 6.36813 5.25583 6.23882 11.055 12.0368 6.67585 numMergedOcc 0
32 mol 224 unq 4 iso 0 dist 7.7163 11.8217 9.34636 9.97425 5.46434 7.06793 numMergedOcc 0
33 mol 224 unq 5 iso 0 dist 7.7163 11.8217 9.34636 10.7344 5.03449 6.67585 numMergedOcc 0
34 mol 224 unq 6 iso 0 dist 7.7163 10.8463 9.79616 10.7344 5.03449 6.65984 numMergedOcc 0
35 mol 224 unq 7 iso 0 dist 9.06201 11.9904 9.34636 8.39753 5.46434 7.06793 numMergedOcc 0
36 mol 224 unq 8 iso 0 dist 9.06201 11.9904 9.34636 12.5544 5.03449 6.67585 numMergedOcc 0
37 mol 224 unq 9 iso 0 dist 9.06201 13.0574 9.79616 12.5544 5.03449 6.65984 numMergedOcc 0
38 mol 235 unq 0 iso 0 dist 7.52696 8.38435 7.2346 10.0749 9.5053 7.32211 numMergedOcc 0
39 mol 238 unq 0 iso 0 dist 6.32593 6.53984 9.75174 5.72415 5.1967 6.91569 numMergedOcc 0
40 mol 249 unq 0 iso 0 dist 5.66519 6.47697 5.78121 9.72224 4.16447 8.96876 numMergedOcc 0
41 mol 249 unq 1 iso 0 dist 5.66519 8.68833 7.29898 9.72224 4.16447 8.83735 numMergedOcc 0
42 mol 249 unq 2 iso 0 dist 6.50067 8.68833 8.91685 9.72224 6.74838 8.83735 numMergedOcc 0
43 mol 257 unq 0 iso 0 dist 5.65496 5.99362 5.36776 12.5207 9.09314 7.14834 numMergedOcc 0
44 mol 259 unq 0 iso 0 dist 9.16791 16.6792 9.58006 20.9701 15.1483 7.48005 numMergedOcc 0
45 mol 259 unq 1 iso 0 dist 5.96276 5.55516 5.90381 12.1707 10.8128 7.50578 numMergedOcc 0
46 mol 274 unq 0 iso 0 dist 7.24089 5.56999 6.00877 9.89613 4.05661 6.50589 numMergedOcc 0
47 mol 274 unq 1 iso 0 dist 9.29005 10.2696 6.00877 13.0653 4.05661 6.50589 numMergedOcc 0
48 mol 274 unq 2 iso 0 dist 8.16746 10.2696 8.66451 13.0653 7.47324 6.50589 numMergedOcc 0
49 mol 276 unq 0 iso 0 dist 7.35537 9.58401 9.05218 16.3097 11.6861 8.76347 numMergedOcc 0
50 mol 277 unq 0 iso 0 dist 9.42812 16.2915 6.90434 14.4323 9.14131 9.41725 numMergedOcc 0
51 mol 282 unq 0 iso 0 dist 6.40686 4.89059 5.67266 10.0695 5.41716 8.8673 numMergedOcc 0
52 mol 282 unq 1 iso 0 dist 7.14443 4.89059 5.80981 10.0695 5.37323 8.8673 numMergedOcc 0
