0 mol 1 unq 0 iso 0 dist 5.65716 9.76602 15.1444 4.36042 8.26708 10.0252 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 5.65716 9.76602 15.1444 6.44928 6.09918 13.6299 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 5.65716 8.54314 6.51994 4.36042 8.26708 12.6128 numMergedOcc 0
3 mol 1 unq 3 iso 0 dist 5.65716 8.54314 6.51994 6.44928 6.09918 12.1523 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 9.93613 6.26276 7.28672 11.7623 9.78006 9.62394 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 5.97432 7.05148 6.61233 6.17631 5.81959 8.6653 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 5.97432 7.05148 6.61233 5.59268 6.90155 7.92503 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 6.73259 9.27369 5.30297 4.09495 5.69955 10.177 numMergedOcc 0
8 mol 26 unq 1 iso 0 dist 6.73259 9.27369 5.30297 8.18809 8.6385 7.36856 numMergedOcc 0
9 mol 26 unq 2 iso 0 dist 9.46609 6.17217 5.66783 13.1626 8.44506 11.9684 numMergedOcc 0
10 mol 62 unq 0 iso 0 dist 7.34678 8.2746 9.05781 4.16095 9.46994 10.2668 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 8.42713 7.4518 14.7862 17.674 9.81831 23.3751 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 8.42713 7.4518 14.7862 15.232 9.12858 19.3357 numMergedOcc 0
13 mol 93 unq 2 iso 0 dist 8.42713 7.4518 14.7862 12.5871 9.4523 17.211 numMergedOcc 0
14 mol 93 unq 3 iso 0 dist 8.42713 9.1687 9.42916 17.674 9.81831 18.2573 numMergedOcc 0
15 mol 93 unq 4 iso 0 dist 8.42713 9.1687 9.42916 15.232 9.12858 16.6164 numMergedOcc 0
16 mol 93 unq 5 iso 0 dist 8.42713 9.1687 9.42916 12.5871 9.4523 17.9577 numMergedOcc 0
17 mol 112 unq 0 iso 0 dist 7.98999 5.42828 7.60016 6.68714 7.23962 10.1861 numMergedOcc 0
18 mol 112 unq 1 iso 0 dist 7.98999 5.42828 7.60016 10.8795 9.00067 14.351 numMergedOcc 0
19 mol 112 unq 2 iso 0 dist 7.98999 5.42828 7.60016 13.2606 9.89499 15.5153 numMergedOcc 0
20 mol 112 unq 3 iso 0 dist 7.98999 5.42828 7.60016 6.71889 7.30204 10.15 numMergedOcc 0
21 mol 114 unq 0 iso 0 dist 5.82501 7.48533 8.66057 7.6321 9.7918 14.7674 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 5.33314 8.58172 4.65836 11.1522 8.86329 11.832 numMergedOcc 0
23 mol 131 unq 1 iso 0 dist 5.33314 8.58172 4.65836 11.4573 8.71039 12.3881 numMergedOcc 0
24 mol 131 unq 2 iso 0 dist 5.33314 8.94585 7.42665 11.1522 8.86329 16.1901 numMergedOcc 0
25 mol 131 unq 3 iso 0 dist 5.33314 8.94585 7.42665 11.4573 8.71039 15.5724 numMergedOcc 0
26 mol 148 unq 0 iso 0 dist 5.06687 9.80819 7.89336 5.59872 9.02318 10.8708 numMergedOcc 0
27 mol 148 unq 1 iso 0 dist 5.06687 9.80819 7.89336 9.27313 9.74542 6.22055 numMergedOcc 0
28 mol 148 unq 2 iso 0 dist 5.06687 9.80819 7.89336 8.61198 7.97543 11.2961 numMergedOcc 0
29 mol 150 unq 0 iso 0 dist 5.09809 9.81665 7.86976 9.25213 9.6606 6.14675 numMergedOcc 0
30 mol 150 unq 1 iso 0 dist 5.09809 9.81665 7.86976 8.68422 7.85526 11.2313 numMergedOcc 0
31 mol 150 unq 2 iso 0 dist 5.09809 9.81665 7.86976 5.56996 8.94552 10.9703 numMergedOcc 0
32 mol 163 unq 0 iso 0 dist 5.80513 9.62943 8.55624 4.12904 8.38738 9.07943 numMergedOcc 0
33 mol 194 unq 0 iso 0 dist 7.47107 8.03512 8.15427 10.2633 6.26839 10.5683 numMergedOcc 0
34 mol 194 unq 1 iso 0 dist 7.47107 8.03512 8.15427 9.36943 8.12346 14.6632 numMergedOcc 0
35 mol 194 unq 2 iso 0 dist 7.47107 8.03512 8.15427 7.72655 8.83356 9.69399 numMergedOcc 0
36 mol 194 unq 3 iso 0 dist 7.47107 8.03512 8.15427 4.57265 8.2654 11.0007 numMergedOcc 0
37 mol 210 unq 0 iso 0 dist 7.31388 9.26092 14.2595 3.84723 5.37446 11.18 numMergedOcc 0
38 mol 258 unq 0 iso 0 dist 8.15795 8.12414 8.09074 12.227 9.53063 15.8417 numMergedOcc 0
39 mol 274 unq 0 iso 0 dist 6.63662 9.02071 13.7785 4.37547 7.4099 12.2077 numMergedOcc 0
40 mol 274 unq 1 iso 0 dist 9.89698 9.02071 11.085 16.8679 7.52109 18.0239 numMergedOcc 0
41 mol 274 unq 2 iso 0 dist 7.65671 9.02071 5.36428 5.9882 9.56685 9.85289 numMergedOcc 0
42 mol 274 unq 3 iso 0 dist 7.3996 9.02071 11.9754 5.9882 8.49922 9.85289 numMergedOcc 0
