0 mol 4 unq 0 iso 0 dist 8.23852 5.39008 4.46089 9.39293 10.9548 7.29079 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 8.70005 9.38747 11.4016 16.276 20.3072 8.94643 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 9.83168 8.40467 13.4544 7.431 10.4466 8.92334 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 9.17591 7.13608 6.97536 7.23274 11.9349 5.42426 numMergedOcc 0
4 mol 32 unq 1 iso 0 dist 9.17591 4.95327 6.4024 7.23274 11.9349 8.03553 numMergedOcc 0
5 mol 32 unq 2 iso 0 dist 7.12013 9.46895 8.79217 6.59787 10.1028 5.42426 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 7.53564 7.62469 6.44784 6.1032 10.7958 6.57978 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 7.02351 6.7939 5.4653 8.50831 10.2907 7.9575 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 7.02351 6.85356 4.63063 8.50831 10.2907 5.88827 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 7.02351 6.85356 4.63063 14.8359 13.177 9.66175 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 7.53504 5.68894 7.92924 10.3098 13.9682 7.9575 numMergedOcc 0
11 mol 73 unq 4 iso 0 dist 7.53504 7.32265 8.30433 10.3098 13.9682 5.88827 numMergedOcc 0
12 mol 73 unq 5 iso 0 dist 7.53504 7.32265 8.30433 6.35914 13.3668 9.66175 numMergedOcc 0
13 mol 73 unq 6 iso 0 dist 8.66342 5.68894 5.4653 10.3098 10.2907 7.9575 numMergedOcc 0
14 mol 73 unq 7 iso 0 dist 8.66342 7.32265 4.63063 10.3098 10.2907 5.88827 numMergedOcc 0
15 mol 73 unq 8 iso 0 dist 8.66342 7.32265 4.63063 6.35914 13.177 9.66175 numMergedOcc 0
16 mol 73 unq 9 iso 0 dist 7.21285 5.68894 7.09483 10.3098 10.1296 7.9575 numMergedOcc 0
17 mol 73 unq 10 iso 0 dist 7.21285 7.32265 4.68175 10.3098 10.1296 5.88827 numMergedOcc 0
18 mol 73 unq 11 iso 0 dist 7.21285 7.32265 4.68175 6.35914 11.0617 9.66175 numMergedOcc 0
19 mol 73 unq 12 iso 0 dist 6.95094 5.68894 11.341 10.3098 12.855 7.9575 numMergedOcc 0
20 mol 73 unq 13 iso 0 dist 6.95094 7.32265 10.0459 10.3098 12.855 5.88827 numMergedOcc 0
21 mol 73 unq 14 iso 0 dist 6.95094 7.32265 10.0459 6.35914 8.14547 9.66175 numMergedOcc 0
22 mol 87 unq 0 iso 0 dist 8.33989 7.83828 10.5488 6.09079 14.2493 9.92157 numMergedOcc 0
23 mol 90 unq 0 iso 0 dist 8.6308 7.94379 5.12529 4.28396 5.28331 7.01987 numMergedOcc 0
24 mol 101 unq 0 iso 0 dist 9.1109 7.11476 4.39441 4.80201 8.83779 8.2549 numMergedOcc 0
25 mol 101 unq 1 iso 0 dist 5.51185 7.11476 4.84084 4.80201 8.91685 8.2549 numMergedOcc 0
26 mol 120 unq 0 iso 0 dist 9.40544 8.8894 10.2375 6.80219 10.8171 9.13689 numMergedOcc 0
27 mol 142 unq 0 iso 0 dist 9.5355 7.21779 7.46089 5.19808 5.79144 6.81144 numMergedOcc 0
28 mol 152 unq 0 iso 0 dist 7.99446 9.54774 8.8525 6.79695 12.4377 8.52131 numMergedOcc 0
29 mol 152 unq 1 iso 0 dist 7.21636 9.54774 12.5216 6.79695 12.3356 8.52131 numMergedOcc 0
30 mol 174 unq 0 iso 0 dist 8.67807 8.15275 5.46023 6.77289 12.3657 8.63713 numMergedOcc 0
31 mol 183 unq 0 iso 0 dist 9.82833 9.84649 9.01399 14.1568 17.4248 8.69656 numMergedOcc 0
32 mol 192 unq 0 iso 0 dist 7.72242 5.83093 5.21255 9.42206 13.0939 7.97601 numMergedOcc 0
33 mol 193 unq 0 iso 0 dist 9.16852 7.71716 3.53549 3.72752 11.7397 9.50113 numMergedOcc 0
34 mol 193 unq 1 iso 0 dist 9.16852 7.71716 3.53549 11.2707 6.63784 9.73679 numMergedOcc 0
35 mol 193 unq 2 iso 0 dist 5.19654 8.71993 3.53549 16.1667 11.7397 9.50113 numMergedOcc 0
36 mol 193 unq 3 iso 0 dist 5.19654 8.71993 3.53549 4.40965 6.63784 9.73679 numMergedOcc 0
37 mol 203 unq 0 iso 0 dist 8.8589 7.72215 9.33982 9.99456 15.8337 9.58652 numMergedOcc 0
38 mol 205 unq 0 iso 0 dist 8.21112 6.02053 8.82544 6.20494 9.88692 4.93303 numMergedOcc 0
39 mol 205 unq 1 iso 0 dist 8.21112 6.02053 8.82544 8.39697 13.464 9.95859 numMergedOcc 0
40 mol 205 unq 2 iso 0 dist 7.06533 7.41663 8.82544 5.10421 9.88692 4.93303 numMergedOcc 0
41 mol 205 unq 3 iso 0 dist 7.06533 7.41663 8.82544 12.776 13.464 9.95859 numMergedOcc 0
42 mol 224 unq 0 iso 0 dist 9.06201 8.96263 9.9943 6.81831 12.6716 7.80646 numMergedOcc 0
43 mol 224 unq 1 iso 0 dist 9.06201 7.35677 7.83342 6.81831 12.6716 5.95109 numMergedOcc 0
44 mol 226 unq 0 iso 0 dist 9.05082 8.24741 12.3913 10.4 18.9238 9.84378 numMergedOcc 0
45 mol 239 unq 0 iso 0 dist 8.78008 7.80073 8.20191 7.79949 9.94177 9.58325 numMergedOcc 0
46 mol 239 unq 1 iso 0 dist 8.01565 7.10828 5.94643 10.0889 11.1939 5.4687 numMergedOcc 0
47 mol 248 unq 0 iso 0 dist 7.83878 7.51278 4.13513 10.0975 13.6446 9.99025 numMergedOcc 0
48 mol 249 unq 0 iso 0 dist 6.04688 5.70674 4.88298 5.63037 7.80866 9.04147 numMergedOcc 0
49 mol 260 unq 0 iso 0 dist 9.05149 8.13605 11.3568 8.05498 13.3487 4.76164 numMergedOcc 0
50 mol 261 unq 0 iso 0 dist 8.64393 6.99444 7.70154 9.24385 14.455 7.14871 numMergedOcc 0
