0 mol 18 unq 0 iso 0 dist 9.04157 9.99878 9.7728 10.544 6.30737 6.41856 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 9.04157 9.99878 9.7728 17.9384 15.8027 8.51213 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 6.0827 4.38006 6.58981 8.30291 6.8858 9.27092 numMergedOcc 0
3 mol 62 unq 1 iso 0 dist 5.23167 11.7209 9.1926 13.798 9.17877 6.56664 numMergedOcc 0
4 mol 62 unq 2 iso 0 dist 5.23167 11.7209 9.1926 17.7941 13.7909 9.58156 numMergedOcc 0
5 mol 62 unq 3 iso 0 dist 7.47607 13.1832 9.1926 14.5982 9.17877 6.56664 numMergedOcc 0
6 mol 62 unq 4 iso 0 dist 7.47607 13.1832 9.1926 20.5125 13.7909 9.58156 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 5.61831 4.63832 8.63792 7.36475 3.69293 9.32453 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 9.98861 8.14775 6.02596 8.364 4.79453 4.75701 numMergedOcc 0
9 mol 90 unq 1 iso 0 dist 9.98861 14.9764 8.17454 8.364 4.79453 9.89618 numMergedOcc 0
10 mol 90 unq 2 iso 0 dist 5.52904 4.03085 6.02596 7.37255 4.79453 4.75701 numMergedOcc 0
11 mol 90 unq 3 iso 0 dist 5.52904 4.99029 8.17454 7.37255 4.79453 9.89618 numMergedOcc 0
12 mol 96 unq 0 iso 0 dist 7.40983 8.67044 7.22615 10.0597 6.08084 6.19867 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 6.38269 13.5639 9.44 9.80191 6.54263 9.57352 numMergedOcc 0
14 mol 113 unq 1 iso 0 dist 7.11196 13.5639 8.47634 9.80191 3.92558 9.57352 numMergedOcc 0
15 mol 117 unq 0 iso 0 dist 4.60192 4.87865 5.94465 11.8669 11.1642 9.60425 numMergedOcc 0
16 mol 120 unq 0 iso 0 dist 8.31527 10.7979 5.56598 9.41521 5.61274 8.20009 numMergedOcc 0
17 mol 120 unq 1 iso 0 dist 8.31527 6.76794 5.39792 9.41521 5.61274 8.14799 numMergedOcc 0
18 mol 120 unq 2 iso 0 dist 7.64841 6.76794 8.44206 9.41521 3.35803 8.14799 numMergedOcc 0
19 mol 123 unq 0 iso 0 dist 7.49032 9.0296 8.35926 15.8588 12.5368 9.99727 numMergedOcc 0
20 mol 123 unq 1 iso 0 dist 7.04627 6.33531 8.35926 14.9898 12.5368 9.99727 numMergedOcc 0
21 mol 129 unq 0 iso 0 dist 9.91021 8.63314 8.42277 11.4721 12.7464 7.00798 numMergedOcc 0
22 mol 129 unq 1 iso 0 dist 5.5917 4.81238 8.42277 11.3259 12.7464 7.00798 numMergedOcc 0
23 mol 129 unq 2 iso 0 dist 5.24806 4.81238 6.26653 11.3259 10.1964 7.00798 numMergedOcc 0
24 mol 185 unq 0 iso 0 dist 9.62449 4.03855 8.60009 10.0926 8.09496 6.62848 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 8.89804 7.35256 8.78251 10.0682 4.04122 7.09426 numMergedOcc 0
26 mol 213 unq 0 iso 0 dist 9.50137 4.28738 8.46486 12.9127 8.5907 9.1663 numMergedOcc 0
27 mol 220 unq 0 iso 0 dist 7.39043 4.61842 6.23243 4.71754 3.57917 5.71825 numMergedOcc 0
28 mol 257 unq 0 iso 0 dist 8.50916 14.1389 9.79593 13.7377 10.9989 8.95261 numMergedOcc 0
29 mol 264 unq 0 iso 0 dist 9.05194 5.495 6.67548 9.82685 10.4585 9.00498 numMergedOcc 0
30 mol 264 unq 1 iso 0 dist 9.02526 5.495 5.57579 9.82685 8.25406 9.00498 numMergedOcc 0
31 mol 278 unq 0 iso 0 dist 8.69111 4.25803 7.73107 11.3665 7.3987 9.30751 numMergedOcc 0
