0 mol 7 unq 0 iso 0 dist 8.88982 14.92 8.72114 9.49401 6.34041 6.14469 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 7.25179 8.90391 9.62394 15.3095 16.147 7.35972 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 7.25179 8.90391 9.62394 16.9184 19.4709 9.93542 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 8.72522 12.2488 9.62394 17.3927 16.147 7.35972 numMergedOcc 0
4 mol 9 unq 3 iso 0 dist 8.72522 12.2488 9.62394 19.7007 19.4709 9.93542 numMergedOcc 0
5 mol 20 unq 0 iso 0 dist 9.14371 4.14436 6.09764 5.87364 8.96335 4.74809 numMergedOcc 0
6 mol 20 unq 1 iso 0 dist 9.14371 4.14436 6.09764 11.5403 6.05944 7.43882 numMergedOcc 0
7 mol 20 unq 2 iso 0 dist 9.14371 4.14436 6.09764 10.385 7.46656 7.31198 numMergedOcc 0
8 mol 20 unq 3 iso 0 dist 9.14371 9.3714 9.20198 5.87364 8.96335 5.86181 numMergedOcc 0
9 mol 20 unq 4 iso 0 dist 9.14371 9.3714 9.20198 11.5403 6.05944 6.3253 numMergedOcc 0
10 mol 20 unq 5 iso 0 dist 9.14371 9.3714 9.20198 10.385 7.46656 5.80568 numMergedOcc 0
11 mol 24 unq 0 iso 0 dist 8.13365 7.1011 7.33768 8.12171 6.66749 8.00171 numMergedOcc 0
12 mol 24 unq 1 iso 0 dist 8.13365 10.8208 9.01567 8.12171 6.66749 4.2121 numMergedOcc 0
13 mol 24 unq 2 iso 0 dist 8.13365 13.3998 7.29868 8.12171 6.66749 6.72323 numMergedOcc 0
14 mol 24 unq 3 iso 0 dist 6.80849 14.1707 8.60554 20.1114 14.012 6.72323 numMergedOcc 0
15 mol 25 unq 0 iso 0 dist 6.00307 6.03478 6.16347 10.0899 6.08585 6.25843 numMergedOcc 0
16 mol 65 unq 0 iso 0 dist 9.75927 4.37601 6.72639 6.99979 5.51708 5.94206 numMergedOcc 0
17 mol 91 unq 0 iso 0 dist 8.00525 5.75219 9.30539 4.86532 4.57085 8.66165 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 4.31067 9.0917 6.65501 8.33845 7.06961 6.88901 numMergedOcc 0
19 mol 113 unq 0 iso 0 dist 8.29529 5.89952 8.8822 10.085 7.27193 6.6317 numMergedOcc 0
20 mol 125 unq 0 iso 0 dist 9.50809 6.27909 7.47069 11.8744 9.44075 6.33431 numMergedOcc 0
21 mol 129 unq 0 iso 0 dist 6.47346 10.8332 9.36851 10.3572 4.55551 9.73158 numMergedOcc 0
22 mol 129 unq 1 iso 0 dist 6.47346 5.75407 4.97175 10.3572 4.55551 7.59327 numMergedOcc 0
23 mol 156 unq 0 iso 0 dist 9.25604 11.2214 8.73722 11.8537 6.14767 5.41575 numMergedOcc 0
24 mol 156 unq 1 iso 0 dist 9.25604 11.2214 8.73722 16.3609 12.212 6.86566 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 9.50454 6.15536 5.9176 5.87853 6.29863 7.22883 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 8.80581 10.5065 5.9176 11.1087 6.29863 7.22883 numMergedOcc 0
27 mol 196 unq 0 iso 0 dist 4.97115 7.68725 6.70531 6.23981 4.54749 7.21349 numMergedOcc 0
28 mol 196 unq 1 iso 0 dist 7.23126 7.68725 6.86319 6.23981 10.645 7.21349 numMergedOcc 0
29 mol 196 unq 2 iso 0 dist 7.82805 9.74385 6.86319 8.24718 10.645 7.21349 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 6.51823 12.1252 8.67864 8.60978 7.95232 5.92374 numMergedOcc 0
31 mol 265 unq 0 iso 0 dist 7.83102 4.40079 6.71375 11.2525 10.0732 8.984 numMergedOcc 0
32 mol 280 unq 0 iso 0 dist 8.88567 10.9171 9.76787 7.18775 6.19336 6.73712 numMergedOcc 0
33 mol 284 unq 0 iso 0 dist 9.12551 9.83671 6.78191 13.1896 4.50325 7.34931 numMergedOcc 0
