0 mol 7 unq 0 iso 0 dist 9.90117 15.279 7.5298 6.96396 7.21217 14.06 13.6699 9.17096 15.8199 7.31201 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.90117 15.279 7.5298 6.96396 7.21217 14.06 13.3157 12.4418 19.8086 9.36807 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.90117 11.7275 8.94874 6.96396 7.21217 5.77391 13.6699 9.17096 8.19144 7.31201 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 9.90117 11.7275 8.94874 6.96396 7.21217 5.77391 13.3157 12.4418 13.0994 9.36807 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 8.30431 16.966 9.94756 6.32949 9.62468 18.7183 10.6661 6.91052 15.5943 8.76003 numMergedOcc 0
5 mol 61 unq 1 iso 0 dist 4.628 4.71793 6.85094 6.32949 5.92705 7.15161 10.6661 7.34319 13.6867 8.76003 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 5.31281 7.22809 8.592 5.24877 8.42445 9.52181 11.3006 10.453 16.22 8.71128 numMergedOcc 0
7 mol 214 unq 0 iso 0 dist 9.81136 14.9808 5.69733 17.404 8.49704 5.68711 20.6393 13.4309 12.4978 6.97182 numMergedOcc 0
8 mol 214 unq 1 iso 0 dist 9.81136 14.9808 5.69733 17.404 8.49704 5.68711 20.8927 13.5787 11.0481 6.1175 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 7.57712 6.40358 4.3362 6.19375 7.31105 9.20027 12.6808 12.3402 15.4657 6.84247 numMergedOcc 0
10 mol 220 unq 1 iso 0 dist 7.57712 6.40358 4.3362 6.19375 7.31105 9.20027 5.00266 7.84277 8.57161 6.99002 numMergedOcc 0
11 mol 224 unq 0 iso 0 dist 7.58998 9.07072 6.36813 6.87755 6.23882 5.25583 8.76325 9.57742 12.1103 7.06793 numMergedOcc 0
12 mol 224 unq 1 iso 0 dist 7.58998 9.07072 6.36813 6.87755 6.23882 5.25583 12.0468 12.0368 11.055 6.67585 numMergedOcc 0
13 mol 235 unq 0 iso 0 dist 7.99218 5.63043 7.52696 10.3775 7.2346 8.38435 14.4922 9.5053 10.0749 7.32211 numMergedOcc 0
14 mol 249 unq 0 iso 0 dist 6.18866 6.59067 5.66519 6.28944 5.78121 6.47697 9.02486 4.16447 9.72224 8.96876 numMergedOcc 0
15 mol 249 unq 1 iso 0 dist 6.18866 6.59067 5.66519 12.5843 7.29898 8.68833 9.02486 4.16447 9.72224 8.83735 numMergedOcc 0
16 mol 249 unq 2 iso 0 dist 9.3807 6.59067 6.50067 12.5843 8.91685 8.68833 9.02486 6.74838 9.72224 8.83735 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 8.73077 5.94835 9.16791 16.6797 9.58006 16.6792 19.8207 15.1483 20.9701 7.48005 numMergedOcc 0
18 mol 259 unq 1 iso 0 dist 6.76656 9.43627 9.16791 12.7595 9.58006 16.6792 15.1733 15.1483 20.9701 7.48005 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 6.23539 13.1 9.42812 7.44724 6.90434 16.2915 12.4404 9.14131 14.4323 9.41725 numMergedOcc 0
20 mol 282 unq 0 iso 0 dist 7.93511 8.96033 6.40686 9.67023 5.67266 4.89059 13.2331 5.41716 10.0695 8.8673 numMergedOcc 0
