0 mol 11 unq 0 iso 0 dist 9.76233 7.08799 9.74528 6.64342 6.84216 7.86896 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.69224 4.97972 7.72372 6.44262 7.03372 5.78908 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 5.98169 7.98722 8.66738 9.50079 8.95154 9.10555 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 7.52145 14.6586 8.70331 5.27705 8.91596 14.036 numMergedOcc 0
4 mol 32 unq 1 iso 0 dist 8.35776 5.87258 8.70331 10.2135 8.91596 14.036 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 5.61831 8.53213 5.91098 5.66392 7.61521 10.2219 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 5.61831 5.28721 4.86523 5.66392 7.61521 7.74851 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 7.61514 5.55433 7.51319 12.3909 7.69926 10.7979 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 7.61514 15.3673 9.43839 12.3909 7.69926 14.4751 numMergedOcc 0
9 mol 85 unq 2 iso 0 dist 8.21116 15.6112 8.66427 12.3909 5.85237 8.38101 numMergedOcc 0
10 mol 85 unq 3 iso 0 dist 8.21116 15.6112 8.66427 17.1393 9.11768 9.01135 numMergedOcc 0
11 mol 85 unq 4 iso 0 dist 8.21116 5.55433 8.49887 12.3909 5.85237 10.7979 numMergedOcc 0
12 mol 85 unq 5 iso 0 dist 8.21116 5.55433 8.49887 17.1393 9.11768 15.9875 numMergedOcc 0
13 mol 107 unq 0 iso 0 dist 4.99934 11.7698 7.2168 9.85159 9.45682 13.5052 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 6.91039 15.9297 9.99012 8.99682 8.64905 17.4764 numMergedOcc 0
15 mol 143 unq 1 iso 0 dist 6.91039 4.14823 5.33772 8.99682 8.64905 5.11989 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 9.3776 6.27142 9.07315 12.8882 7.59457 10.0459 numMergedOcc 0
17 mol 152 unq 1 iso 0 dist 9.3776 6.27142 9.07315 16.0649 9.00072 14.7437 numMergedOcc 0
18 mol 152 unq 2 iso 0 dist 9.3776 6.27142 9.07315 10.6678 7.55419 10.719 numMergedOcc 0
19 mol 152 unq 3 iso 0 dist 7.71959 6.30491 6.68265 5.29694 7.55934 6.62991 numMergedOcc 0
20 mol 152 unq 4 iso 0 dist 7.71959 4.48776 7.78842 5.29694 7.55934 7.17016 numMergedOcc 0
21 mol 167 unq 0 iso 0 dist 8.88037 11.2395 8.06817 7.79718 5.36671 8.88239 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 8.19926 8.15466 4.79423 11.8143 5.90765 8.24478 numMergedOcc 0
23 mol 194 unq 0 iso 0 dist 9.3032 11.9253 7.56217 5.69334 9.52922 13.445 numMergedOcc 0
24 mol 194 unq 1 iso 0 dist 8.10451 9.14049 7.56217 13.5654 9.52922 13.445 numMergedOcc 0
25 mol 194 unq 2 iso 0 dist 6.6747 9.14049 9.81055 11.1132 9.38984 18.4888 numMergedOcc 0
26 mol 194 unq 3 iso 0 dist 6.6747 9.14049 9.81055 14.0553 9.91118 19.6126 numMergedOcc 0
27 mol 194 unq 4 iso 0 dist 6.28412 15.4443 9.81055 7.69242 9.38984 18.4888 numMergedOcc 0
28 mol 194 unq 5 iso 0 dist 6.28412 15.4443 9.81055 5.16091 9.91118 19.6126 numMergedOcc 0
29 mol 206 unq 0 iso 0 dist 9.54448 4.7722 5.73198 11.1412 9.4629 7.20088 numMergedOcc 0
30 mol 252 unq 0 iso 0 dist 4.15692 10.2256 9.09279 7.00892 8.55044 5.96471 numMergedOcc 0
31 mol 253 unq 0 iso 0 dist 8.34984 6.3252 6.3093 5.34337 9.19385 4.84708 numMergedOcc 0
32 mol 253 unq 1 iso 0 dist 8.34984 6.3252 6.3093 11.9048 9.1927 6.27022 numMergedOcc 0
33 mol 266 unq 0 iso 0 dist 9.20906 9.22203 4.95415 8.34545 9.29666 5.98169 numMergedOcc 0
34 mol 266 unq 1 iso 0 dist 9.20906 9.32644 6.38519 8.34545 9.29666 13.8919 numMergedOcc 0
35 mol 266 unq 2 iso 0 dist 9.03099 13.3047 4.95415 18.0944 9.29666 5.98169 numMergedOcc 0
36 mol 266 unq 3 iso 0 dist 9.03099 5.66268 6.38519 18.0944 9.29666 13.8919 numMergedOcc 0
37 mol 285 unq 0 iso 0 dist 8.88717 5.29647 6.07843 5.23192 6.71946 5.93692 numMergedOcc 0
38 mol 285 unq 1 iso 0 dist 9.84651 6.56958 6.07843 9.00041 6.71946 5.93692 numMergedOcc 0
