0 mol 5 unq 0 iso 0 dist 6.14476 13.9409 9.70883 13.9663 9.22937 8.87945 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 6.58046 10.7048 6.83186 15.1065 12.0683 9.89425 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.23075 13.5399 8.25818 10.9113 11.1587 7.7447 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 7.15542 6.88863 8.22812 13.0948 9.26377 7.78689 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 8.89047 6.88863 4.22002 13.0948 4.88527 7.78689 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 8.89003 6.88863 5.77855 13.0948 4.76279 7.78689 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 7.61521 10.5019 7.66068 9.76346 3.35924 5.45099 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 7.61521 13.3187 9.5043 9.76346 3.35924 8.44765 numMergedOcc 0
8 mol 76 unq 2 iso 0 dist 7.61521 10.3032 8.34132 9.76346 3.35924 9.06643 numMergedOcc 0
9 mol 78 unq 0 iso 0 dist 8.97888 9.6123 8.61143 12.0052 4.315 9.38837 numMergedOcc 0
10 mol 78 unq 1 iso 0 dist 8.97888 9.6123 8.61143 15.2056 9.00868 9.80913 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 4.37025 8.95695 6.20144 11.2699 7.19532 4.74254 numMergedOcc 0
12 mol 107 unq 0 iso 0 dist 9.45682 17.9917 8.88124 14.5329 5.88785 7.91251 numMergedOcc 0
13 mol 107 unq 1 iso 0 dist 9.45682 11.8593 8.19484 14.5329 5.88785 9.09262 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 8.99912 6.54263 4.49669 14.9043 10.1118 8.67025 numMergedOcc 0
15 mol 113 unq 1 iso 0 dist 8.99912 3.92558 5.88896 11.6298 8.39067 9.60127 numMergedOcc 0
16 mol 113 unq 2 iso 0 dist 7.02367 13.0914 7.02358 8.80934 3.52445 4.30875 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 4.76974 6.61688 6.21029 9.24977 7.30495 9.45013 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 8.0336 6.61688 8.16325 9.24977 9.57858 9.45013 numMergedOcc 0
19 mol 116 unq 0 iso 0 dist 8.51123 5.49724 6.55227 8.28795 6.51576 9.87354 numMergedOcc 0
20 mol 120 unq 0 iso 0 dist 6.42623 3.35803 6.98791 9.85307 4.5296 9.98772 numMergedOcc 0
21 mol 143 unq 0 iso 0 dist 8.99891 6.75249 4.3855 5.40637 5.94217 6.60366 numMergedOcc 0
22 mol 169 unq 0 iso 0 dist 9.37946 5.38859 6.96715 11.1627 13.5169 9.06172 numMergedOcc 0
23 mol 169 unq 1 iso 0 dist 9.37946 5.38859 6.96715 11.4792 14.673 8.93091 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 5.90765 12.1883 7.25595 8.73533 3.60793 8.17928 numMergedOcc 0
25 mol 213 unq 0 iso 0 dist 8.82761 4.67313 9.71831 8.21793 14.4808 9.02881 numMergedOcc 0
26 mol 213 unq 1 iso 0 dist 4.66576 7.49785 9.71831 12.9743 14.4808 9.02881 numMergedOcc 0
27 mol 266 unq 0 iso 0 dist 9.29666 14.5358 7.80711 14.7378 5.95721 7.72861 numMergedOcc 0
28 mol 266 unq 1 iso 0 dist 9.29666 18.7228 9.9965 14.7378 5.95721 8.20376 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 9.54359 13.7583 7.98956 13.3371 10.5214 5.13533 numMergedOcc 0
30 mol 277 unq 1 iso 0 dist 5.69112 11.8607 7.98956 12.1398 10.5214 5.13533 numMergedOcc 0
31 mol 287 unq 0 iso 0 dist 5.30118 3.65199 4.68668 7.45616 3.66473 4.93516 numMergedOcc 0
32 mol 287 unq 1 iso 0 dist 8.98698 5.70614 4.68668 10.4299 3.66473 4.93516 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 5.30118 3.65199 4.68668 7.45616 3.66473 4.93516 numMergedOcc 0
34 mol 288 unq 1 iso 0 dist 8.98698 5.70614 4.68668 10.4299 3.66473 4.93516 numMergedOcc 0
35 mol 289 unq 0 iso 0 dist 5.30118 3.65199 4.68668 7.45616 3.66473 4.93516 numMergedOcc 0
36 mol 289 unq 1 iso 0 dist 8.98698 5.70614 4.68668 10.4299 3.66473 4.93516 numMergedOcc 0
