0 mol 0 unq 0 iso 0 dist 8.38106 6.64852 6.8892 13.0475 7.16694 9.16606 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 5.70193 6.26414 6.8892 10.679 7.16694 9.16606 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 6.68091 4.04843 8.68949 7.91052 6.04779 7.74386 numMergedOcc 0
3 mol 29 unq 0 iso 0 dist 6.73481 9.50033 7.50258 8.54108 5.82508 8.53135 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 8.41842 10.8869 8.04019 13.9178 6.90464 8.0346 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 7.38663 5.18893 7.36738 12.0247 11.8377 8.46741 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 8.05728 4.91237 5.35252 10.8381 10.6637 9.79657 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 8.34804 10.7182 8.27009 13.4474 6.22963 8.01856 numMergedOcc 0
8 mol 75 unq 0 iso 0 dist 5.01633 4.01868 4.76466 11.3061 7.91223 7.93145 numMergedOcc 0
9 mol 99 unq 0 iso 0 dist 8.44207 4.95662 8.68674 7.09617 8.61334 4.82346 numMergedOcc 0
10 mol 99 unq 1 iso 0 dist 8.44207 4.95662 8.68674 11.6889 12.2155 8.07233 numMergedOcc 0
11 mol 103 unq 0 iso 0 dist 6.36357 10.4989 6.79959 16.5414 10.503 8.88401 numMergedOcc 0
12 mol 103 unq 1 iso 0 dist 5.52999 6.64985 6.79959 11.0618 10.503 8.88401 numMergedOcc 0
13 mol 124 unq 0 iso 0 dist 9.7589 7.73112 7.18976 14.8472 9.2094 8.03603 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 7.55333 6.67537 5.86839 10.3441 6.38518 6.02053 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 7.55333 6.67537 5.86839 13.247 7.86936 7.41663 numMergedOcc 0
16 mol 243 unq 0 iso 0 dist 7.93817 9.17097 9.16988 15.5043 16.6703 8.1195 numMergedOcc 0
17 mol 244 unq 0 iso 0 dist 9.53211 4.30655 7.79787 9.16789 8.64762 6.2667 numMergedOcc 0
18 mol 250 unq 0 iso 0 dist 5.43868 9.96947 8.51703 15.6727 11.6337 8.59384 numMergedOcc 0
19 mol 250 unq 1 iso 0 dist 9.80833 9.96947 5.07895 15.6727 5.95822 8.59384 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 9.17911 15.4705 8.10903 14.5143 5.79358 8.73425 numMergedOcc 0
21 mol 258 unq 1 iso 0 dist 9.17911 13.8539 7.25618 14.5143 5.79358 9.65711 numMergedOcc 0
22 mol 258 unq 2 iso 0 dist 9.52903 5.66907 8.10903 6.41167 5.79358 8.73425 numMergedOcc 0
23 mol 258 unq 3 iso 0 dist 9.52903 9.6053 7.25618 6.41167 5.79358 9.65711 numMergedOcc 0
24 mol 271 unq 0 iso 0 dist 6.75395 5.60228 9.50884 8.54162 7.94329 5.76281 numMergedOcc 0
25 mol 272 unq 0 iso 0 dist 9.52059 4.35986 5.37747 6.38555 6.62729 5.34803 numMergedOcc 0
26 mol 273 unq 0 iso 0 dist 9.80002 5.87385 5.78262 9.83374 7.01631 7.84151 numMergedOcc 0
27 mol 273 unq 1 iso 0 dist 9.80002 5.87385 5.78262 5.97798 7.05181 7.346 numMergedOcc 0
28 mol 273 unq 2 iso 0 dist 6.73794 3.92089 5.78262 5.75335 7.01631 7.84151 numMergedOcc 0
29 mol 273 unq 3 iso 0 dist 6.73794 3.92089 5.78262 8.76527 7.05181 7.346 numMergedOcc 0
30 mol 280 unq 0 iso 0 dist 6.0218 4.65268 4.45141 4.26671 5.846 6.38295 numMergedOcc 0
31 mol 287 unq 0 iso 0 dist 6.76192 8.37461 6.96774 13.4242 7.43524 9.84741 numMergedOcc 0
32 mol 287 unq 1 iso 0 dist 6.76192 4.03583 7.14859 11.9674 14.0575 8.5458 numMergedOcc 0
33 mol 287 unq 2 iso 0 dist 6.76192 4.03583 7.14859 12.0413 10.6005 8.56533 numMergedOcc 0
34 mol 288 unq 0 iso 0 dist 6.76192 8.37461 6.96774 13.4242 7.43524 9.84741 numMergedOcc 0
35 mol 288 unq 1 iso 0 dist 6.76192 4.03583 7.14859 11.9674 14.0575 8.5458 numMergedOcc 0
36 mol 288 unq 2 iso 0 dist 6.76192 4.03583 7.14859 12.0413 10.6005 8.56533 numMergedOcc 0
37 mol 289 unq 0 iso 0 dist 6.76192 8.37461 6.96774 13.4242 7.43524 9.84741 numMergedOcc 0
38 mol 289 unq 1 iso 0 dist 6.76192 4.03583 7.14859 11.9674 14.0575 8.5458 numMergedOcc 0
39 mol 289 unq 2 iso 0 dist 6.76192 4.03583 7.14859 12.0413 10.6005 8.56533 numMergedOcc 0
