0 mol 6 unq 0 iso 0 dist 8.15992 9.39473 4.76488 14.4522 9.07564 8.62458 numMergedOcc 0
1 mol 6 unq 1 iso 0 dist 4.82562 5.80027 4.76488 7.33688 9.07564 8.62458 numMergedOcc 0
2 mol 6 unq 2 iso 0 dist 8.85796 5.60626 4.76488 13.7747 9.07564 8.62458 numMergedOcc 0
3 mol 11 unq 0 iso 0 dist 9.74528 11.5768 4.79838 11.3059 9.89425 9.58844 numMergedOcc 0
4 mol 29 unq 0 iso 0 dist 6.80828 4.78536 5.34723 5.45544 5.99655 4.60536 numMergedOcc 0
5 mol 32 unq 0 iso 0 dist 8.70331 7.9487 5.9972 4.87576 8.78511 5.19476 numMergedOcc 0
6 mol 37 unq 0 iso 0 dist 4.07334 11.0522 8.61124 10.9062 9.59073 3.88248 numMergedOcc 0
7 mol 37 unq 1 iso 0 dist 4.07334 5.60174 5.1625 10.9062 9.59073 6.78844 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 8.26877 4.16088 7.16443 12.0497 7.78689 8.78858 numMergedOcc 0
9 mol 48 unq 1 iso 0 dist 7.99434 8.93697 7.16443 5.76698 7.78689 8.78858 numMergedOcc 0
10 mol 48 unq 2 iso 0 dist 7.49794 4.09894 7.08628 11.3706 7.70645 8.51227 numMergedOcc 0
11 mol 48 unq 3 iso 0 dist 8.10222 8.4264 7.08628 5.75684 7.70645 8.51227 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 6.81735 6.24596 9.03391 5.17091 9.41463 6.06742 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 5.91098 13.8036 8.90522 13.363 9.57759 5.19248 numMergedOcc 0
14 mol 76 unq 1 iso 0 dist 4.86523 6.63393 8.90522 7.37421 9.57759 5.19248 numMergedOcc 0
15 mol 79 unq 0 iso 0 dist 6.65972 13.7118 9.11491 11.5374 9.04293 4.1859 numMergedOcc 0
16 mol 79 unq 1 iso 0 dist 6.65972 13.7118 9.11491 5.21981 4.78333 8.68431 numMergedOcc 0
17 mol 79 unq 2 iso 0 dist 4.2253 5.79235 5.82384 5.21981 4.74254 6.19285 numMergedOcc 0
18 mol 79 unq 3 iso 0 dist 4.2253 8.29654 7.15907 5.21981 4.74254 4.47084 numMergedOcc 0
19 mol 85 unq 0 iso 0 dist 8.66427 10.6818 6.54289 12.4236 5.37869 7.2898 numMergedOcc 0
20 mol 85 unq 1 iso 0 dist 8.66427 10.6818 6.54289 9.61831 4.05415 4.13305 numMergedOcc 0
21 mol 85 unq 2 iso 0 dist 8.66427 10.6818 6.54289 11.3963 9.97944 6.42723 numMergedOcc 0
22 mol 85 unq 3 iso 0 dist 8.66427 6.24598 7.52869 12.4236 5.37869 8.37735 numMergedOcc 0
23 mol 85 unq 4 iso 0 dist 8.66427 6.24598 7.52869 9.61831 4.05415 6.66973 numMergedOcc 0
24 mol 85 unq 5 iso 0 dist 8.66427 6.24598 7.52869 11.3963 9.97944 13.5088 numMergedOcc 0
25 mol 85 unq 6 iso 0 dist 8.66427 12.0327 9.18945 12.4236 5.37869 6.17924 numMergedOcc 0
26 mol 85 unq 7 iso 0 dist 8.66427 12.0327 9.18945 9.61831 4.05415 7.15173 numMergedOcc 0
27 mol 85 unq 8 iso 0 dist 8.66427 12.0327 9.18945 11.3963 9.97944 16.574 numMergedOcc 0
28 mol 85 unq 9 iso 0 dist 7.51319 12.8729 5.61151 8.08787 4.29937 7.2898 numMergedOcc 0
29 mol 85 unq 10 iso 0 dist 7.51319 12.8729 5.61151 10.4844 3.65628 4.13305 numMergedOcc 0
30 mol 85 unq 11 iso 0 dist 7.51319 12.8729 5.61151 16.4231 9.77774 6.42723 numMergedOcc 0
31 mol 85 unq 12 iso 0 dist 8.49887 12.8729 6.54289 8.08787 5.37869 7.2898 numMergedOcc 0
32 mol 85 unq 13 iso 0 dist 8.49887 12.8729 6.54289 10.4844 4.05415 4.13305 numMergedOcc 0
33 mol 85 unq 14 iso 0 dist 8.49887 12.8729 6.54289 16.4231 9.97944 6.42723 numMergedOcc 0
34 mol 85 unq 15 iso 0 dist 8.49887 14.5743 7.52869 8.08787 5.37869 8.37735 numMergedOcc 0
35 mol 85 unq 16 iso 0 dist 8.49887 14.5743 7.52869 10.4844 4.05415 6.66973 numMergedOcc 0
36 mol 85 unq 17 iso 0 dist 8.49887 14.5743 7.52869 16.4231 9.97944 13.5088 numMergedOcc 0
37 mol 85 unq 18 iso 0 dist 8.49887 13.0766 9.18945 8.08787 5.37869 6.17924 numMergedOcc 0
38 mol 85 unq 19 iso 0 dist 8.49887 13.0766 9.18945 10.4844 4.05415 7.15173 numMergedOcc 0
39 mol 85 unq 20 iso 0 dist 8.49887 13.0766 9.18945 16.4231 9.97944 16.574 numMergedOcc 0
40 mol 85 unq 21 iso 0 dist 9.43839 3.97167 5.61151 11.053 4.29937 7.2898 numMergedOcc 0
41 mol 85 unq 22 iso 0 dist 9.43839 3.97167 5.61151 7.97629 3.65628 4.13305 numMergedOcc 0
42 mol 85 unq 23 iso 0 dist 9.43839 3.97167 5.61151 5.46713 9.77774 6.42723 numMergedOcc 0
43 mol 152 unq 0 iso 0 dist 8.09561 5.02895 9.70169 14.2685 8.60651 12.5388 numMergedOcc 0
44 mol 204 unq 0 iso 0 dist 8.77524 5.64245 4.51124 5.9943 7.33774 4.08137 numMergedOcc 0
45 mol 228 unq 0 iso 0 dist 6.9196 6.24124 8.29523 11.5135 8.92379 6.68878 numMergedOcc 0
46 mol 228 unq 1 iso 0 dist 6.72203 6.22795 8.13557 11.5792 9.06403 6.64821 numMergedOcc 0
47 mol 251 unq 0 iso 0 dist 8.15014 9.31952 9.55854 5.04918 7.72528 10.449 numMergedOcc 0
48 mol 251 unq 1 iso 0 dist 6.06154 8.73179 9.55854 12.3351 7.72528 10.449 numMergedOcc 0
49 mol 254 unq 0 iso 0 dist 9.84028 6.69832 6.59989 8.2786 5.6417 5.91806 numMergedOcc 0
50 mol 254 unq 1 iso 0 dist 9.84028 6.69832 6.59989 5.20737 7.42831 5.04088 numMergedOcc 0
51 mol 260 unq 0 iso 0 dist 6.90472 8.32254 8.8385 4.35925 9.73217 12.2431 numMergedOcc 0
52 mol 260 unq 1 iso 0 dist 6.90472 8.32254 8.8385 13.8859 7.49606 12.1038 numMergedOcc 0
53 mol 260 unq 2 iso 0 dist 6.90472 8.32254 8.8385 13.5662 8.06377 9.42988 numMergedOcc 0
54 mol 266 unq 0 iso 0 dist 6.48382 12.9391 9.6721 7.90149 8.20376 17.5987 numMergedOcc 0
55 mol 285 unq 0 iso 0 dist 4.95596 8.9423 6.01404 5.62841 4.27826 4.3249 numMergedOcc 0
56 mol 292 unq 0 iso 0 dist 9.25289 8.7383 3.93401 14.8716 9.21469 6.87619 numMergedOcc 0
57 mol 292 unq 1 iso 0 dist 9.29687 9.01459 3.93401 14.3247 9.21469 6.87619 numMergedOcc 0
