0 mol 54 unq 0 iso 0 dist 9.5915 5.97635 9.88291 4.38047 12.377 4.29856 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 5.81747 9.59244 10.6918 7.69638 5.87788 11.1914 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 6.81975 9.59244 7.5168 7.69638 5.46359 11.1914 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 9.59503 8.4545 4.73713 5.62309 11.9687 8.70803 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 9.59503 8.4545 4.73713 7.11438 12.841 9.52327 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 9.59503 7.01176 4.36394 5.62309 11.9687 8.87994 numMergedOcc 0
6 mol 92 unq 3 iso 0 dist 9.59503 7.01176 4.36394 7.11438 12.841 11.641 numMergedOcc 0
7 mol 92 unq 4 iso 0 dist 9.61119 8.4545 9.29076 5.62309 11.8069 8.70803 numMergedOcc 0
8 mol 92 unq 5 iso 0 dist 9.61119 8.4545 9.29076 7.11438 15.4853 9.52327 numMergedOcc 0
9 mol 92 unq 6 iso 0 dist 9.61119 7.01176 4.39652 5.62309 11.8069 8.87994 numMergedOcc 0
10 mol 92 unq 7 iso 0 dist 9.61119 7.01176 4.39652 7.11438 15.4853 11.641 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 8.36326 8.69069 3.96825 9.49995 10.2414 6.71199 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 8.36326 9.65047 16.7208 9.49995 10.2414 11.4333 numMergedOcc 0
13 mol 108 unq 0 iso 0 dist 9.65148 8.77983 7.84197 9.39566 10.7874 4.53977 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 8.06034 5.17585 5.48442 8.23777 10.347 5.76098 numMergedOcc 0
15 mol 112 unq 1 iso 0 dist 7.84249 7.53905 4.34071 5.42828 6.43704 5.76986 numMergedOcc 0
16 mol 112 unq 2 iso 0 dist 7.84249 7.15985 11.6091 5.42828 6.43704 5.39346 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 7.72434 7.91337 12.3603 8.4733 13.0801 5.92984 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 7.72434 6.40546 6.0968 8.4733 13.0801 7.45148 numMergedOcc 0
19 mol 120 unq 0 iso 0 dist 8.43293 7.04864 5.89379 8.73484 6.71699 8.2619 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 7.12336 5.86531 5.37072 6.42904 10.2948 5.92062 numMergedOcc 0
21 mol 133 unq 1 iso 0 dist 7.12336 9.50322 6.26797 6.72323 12.6435 12.538 numMergedOcc 0
22 mol 133 unq 2 iso 0 dist 7.12336 5.82404 9.73435 6.72323 12.6435 4.54648 numMergedOcc 0
23 mol 154 unq 0 iso 0 dist 7.10223 6.23399 5.5065 5.60184 9.10645 7.51976 numMergedOcc 0
24 mol 154 unq 1 iso 0 dist 7.10223 6.23399 5.5065 8.86862 5.6364 5.02794 numMergedOcc 0
25 mol 154 unq 2 iso 0 dist 7.10223 6.23399 5.5065 7.08477 4.02111 7.23684 numMergedOcc 0
26 mol 169 unq 0 iso 0 dist 8.44483 9.46833 14.0747 7.91434 13.754 4.62636 numMergedOcc 0
27 mol 169 unq 1 iso 0 dist 8.44483 9.46833 14.0747 7.79437 15.222 5.81985 numMergedOcc 0
28 mol 169 unq 2 iso 0 dist 9.79864 9.46833 11.1911 7.91434 9.38287 4.62636 numMergedOcc 0
29 mol 169 unq 3 iso 0 dist 9.79864 9.46833 11.1911 7.79437 13.8794 5.81985 numMergedOcc 0
30 mol 169 unq 4 iso 0 dist 9.73241 9.46833 9.31064 7.91434 4.80754 4.62636 numMergedOcc 0
31 mol 169 unq 5 iso 0 dist 9.73241 9.46833 9.31064 7.79437 8.15907 5.81985 numMergedOcc 0
32 mol 171 unq 0 iso 0 dist 8.59783 6.07091 9.22906 6.80086 13.1204 7.35753 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 5.75545 9.58911 8.58814 5.66363 5.18154 11.85 numMergedOcc 0
34 mol 210 unq 0 iso 0 dist 9.718 8.62103 14.2438 9.26092 9.53964 10.4168 numMergedOcc 0
35 mol 210 unq 1 iso 0 dist 8.61629 8.62103 11.4281 9.26092 5.82101 10.4168 numMergedOcc 0
36 mol 244 unq 0 iso 0 dist 5.06669 7.65388 11.6777 5.79898 10.6799 5.17744 numMergedOcc 0
37 mol 244 unq 1 iso 0 dist 5.65248 7.65388 7.45211 5.79898 8.05133 5.17744 numMergedOcc 0
38 mol 258 unq 0 iso 0 dist 8.37512 5.73834 4.16729 8.63176 5.32742 5.63675 numMergedOcc 0
39 mol 292 unq 0 iso 0 dist 8.35169 9.64124 10.1669 6.68863 9.58852 4.24885 numMergedOcc 0
40 mol 292 unq 1 iso 0 dist 8.35169 9.30668 5.58251 6.68863 9.58852 7.15683 numMergedOcc 0
