0 mol 7 unq 0 iso 0 dist 6.10226 11.2808 6.0323 11.2601 5.96526 8.05125 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 7.97834 5.30694 8.70005 10.601 6.20881 9.05939 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 7.97834 5.30694 8.70005 12.7448 11.4016 9.38747 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 7.97834 8.0454 9.83168 15.6479 13.4544 8.40467 numMergedOcc 0
4 mol 124 unq 0 iso 0 dist 5.69775 5.20968 5.61764 8.45451 5.26643 8.03603 numMergedOcc 0
5 mol 125 unq 0 iso 0 dist 9.76178 4.67744 8.15971 12.0604 5.16445 8.44933 numMergedOcc 0
6 mol 125 unq 1 iso 0 dist 9.76178 4.67744 8.15971 10.3522 5.32986 7.43803 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 6.77889 10.3871 7.8034 14.1494 9.45822 9.14809 numMergedOcc 0
8 mol 131 unq 1 iso 0 dist 6.77889 10.3871 7.8034 15.0819 10.1774 6.45169 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 8.49611 6.04744 6.89564 7.74102 5.32245 9.82274 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 9.29989 5.50185 6.4922 6.25968 6.69705 8.15734 numMergedOcc 0
11 mol 140 unq 0 iso 0 dist 9.83976 6.09043 9.74209 9.16949 4.8476 6.55217 numMergedOcc 0
12 mol 140 unq 1 iso 0 dist 9.83976 6.09043 9.74209 8.65294 8.53976 7.21686 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 8.74611 6.05606 6.47989 10.509 4.68339 5.50879 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 8.57284 7.61145 5.13722 15.7648 8.78766 8.49577 numMergedOcc 0
15 mol 184 unq 1 iso 0 dist 5.34832 4.50907 5.13722 9.77271 8.78766 8.49577 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 8.3311 13.5297 7.72242 13.4151 5.21255 5.83093 numMergedOcc 0
17 mol 192 unq 1 iso 0 dist 7.74423 5.31675 7.72242 8.27545 5.21255 5.83093 numMergedOcc 0
18 mol 203 unq 0 iso 0 dist 8.15593 4.2858 6.8395 11.0625 5.52709 7.72498 numMergedOcc 0
19 mol 209 unq 0 iso 0 dist 8.50624 10.9449 7.757 12.5346 5.86856 8.20431 numMergedOcc 0
20 mol 209 unq 1 iso 0 dist 8.50624 10.9449 7.757 15.7781 8.13817 8.8886 numMergedOcc 0
21 mol 209 unq 2 iso 0 dist 8.50624 12.1135 9.56015 15.7781 8.13817 8.78565 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 5.69868 10.5846 8.78008 12.4501 8.20191 7.80073 numMergedOcc 0
23 mol 239 unq 1 iso 0 dist 7.90449 4.30527 8.33254 9.19442 11.8831 8.92121 numMergedOcc 0
24 mol 248 unq 0 iso 0 dist 6.80314 5.88268 7.83878 9.37614 4.13513 7.51278 numMergedOcc 0
25 mol 252 unq 0 iso 0 dist 9.67923 13.462 7.74647 12.2727 7.39139 4.91772 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 8.8726 5.06393 6.59521 7.87577 5.27718 8.73425 numMergedOcc 0
27 mol 258 unq 1 iso 0 dist 8.8726 5.06393 6.59521 5.86702 9.46467 9.65711 numMergedOcc 0
