0 mol 2 unq 0 iso 0 dist 7.99162 5.59831 6.35342 7.26738 5.7104 9.53758 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.68517 10.1407 8.47315 11.0264 5.40044 7.72142 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.06275 5.71662 9.74445 12.4032 9.69698 8.58709 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.06275 5.71662 9.74445 8.34858 5.90113 7.53564 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 8.90024 18.5048 9.74445 17.4249 9.69698 8.58709 numMergedOcc 0
5 mol 43 unq 3 iso 0 dist 8.90024 18.5048 9.74445 13.9217 5.90113 7.53564 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 5.84326 4.88072 6.80741 10.9417 10.1759 8.23618 numMergedOcc 0
7 mol 61 unq 0 iso 0 dist 5.50504 5.25196 9.62468 13.9782 18.7183 9.94756 numMergedOcc 0
8 mol 61 unq 1 iso 0 dist 5.50504 6.97911 5.92705 11.228 7.15161 6.85094 numMergedOcc 0
9 mol 111 unq 0 iso 0 dist 6.34542 11.5209 8.42147 16.6936 10.9559 8.41868 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 6.99793 5.67441 7.25166 5.37661 4.24853 8.592 numMergedOcc 0
11 mol 114 unq 1 iso 0 dist 6.71345 5.67441 8.42445 5.37661 9.52181 8.592 numMergedOcc 0
12 mol 122 unq 0 iso 0 dist 8.47907 6.85647 8.33083 9.71402 11.9943 9.44209 numMergedOcc 0
13 mol 142 unq 0 iso 0 dist 8.86346 7.25495 7.57458 6.54706 6.01403 5.1557 numMergedOcc 0
14 mol 142 unq 1 iso 0 dist 8.86346 7.25495 7.57458 15.4113 8.68855 9.5355 numMergedOcc 0
15 mol 142 unq 2 iso 0 dist 4.93681 5.20379 7.57458 4.56239 6.01403 5.1557 numMergedOcc 0
16 mol 142 unq 3 iso 0 dist 4.93681 5.20379 7.57458 11.5686 8.68855 9.5355 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 8.34839 5.80854 9.10619 13.191 9.50073 8.84852 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 9.74465 5.02351 7.44191 8.8328 5.32859 4.35909 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 9.74465 12.774 6.00053 8.8328 5.32859 5.77393 numMergedOcc 0
20 mol 213 unq 0 iso 0 dist 9.73691 11.0017 4.58599 17.9099 8.28789 8.84278 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 8.14644 14.5536 7.31105 15.9721 9.20027 4.3362 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 9.39537 6.39493 9.75174 10.3318 6.53984 6.32593 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 8.82778 12.7518 6.37342 9.20248 4.77446 4.21935 numMergedOcc 0
24 mol 251 unq 0 iso 0 dist 9.70918 10.0566 9.82043 15.1154 10.0672 8.65547 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 9.13226 11.0263 9.696 6.89781 6.04536 9.96645 numMergedOcc 0
26 mol 274 unq 1 iso 0 dist 9.13226 11.0263 9.696 13.4106 6.12463 9.2447 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 7.151 13.1772 9.98528 13.2465 7.0797 7.98871 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 8.53324 7.09461 9.02914 14.6314 17.0927 9.42812 numMergedOcc 0
29 mol 277 unq 2 iso 0 dist 7.23956 7.09461 6.90434 14.6314 16.2915 9.42812 numMergedOcc 0
30 mol 277 unq 3 iso 0 dist 8.33977 17.7336 9.98528 13.8363 7.0797 7.98871 numMergedOcc 0
31 mol 277 unq 4 iso 0 dist 8.66941 16.013 9.02914 23.8026 17.0927 9.42812 numMergedOcc 0
