0 mol 73 unq 0 iso 0 dist 5.39171 12.6081 7.53504 13.1329 7.92924 5.68894 18.522 13.9682 10.3098 7.9575 numMergedOcc 0
1 mol 73 unq 1 iso 0 dist 5.39171 12.6081 7.53504 12.702 8.30433 7.32265 18.522 13.9682 10.3098 5.88827 numMergedOcc 0
2 mol 73 unq 2 iso 0 dist 5.39171 12.6081 7.53504 12.702 8.30433 7.32265 18.1369 13.3668 6.35914 9.66175 numMergedOcc 0
3 mol 73 unq 3 iso 0 dist 9.27355 16.1129 7.02351 13.1329 5.4653 6.7939 18.522 10.2907 8.50831 7.9575 numMergedOcc 0
4 mol 73 unq 4 iso 0 dist 9.27355 16.1129 7.02351 12.702 4.63063 6.85356 18.522 10.2907 8.50831 5.88827 numMergedOcc 0
5 mol 73 unq 5 iso 0 dist 9.27355 16.1129 7.02351 12.702 4.63063 6.85356 18.1369 13.177 14.8359 9.66175 numMergedOcc 0
6 mol 73 unq 6 iso 0 dist 9.27355 12.6081 8.66342 13.1329 5.4653 5.68894 18.522 10.2907 10.3098 7.9575 numMergedOcc 0
7 mol 73 unq 7 iso 0 dist 9.27355 12.6081 8.66342 12.702 4.63063 7.32265 18.522 10.2907 10.3098 5.88827 numMergedOcc 0
8 mol 73 unq 8 iso 0 dist 9.27355 12.6081 8.66342 12.702 4.63063 7.32265 18.1369 13.177 6.35914 9.66175 numMergedOcc 0
9 mol 73 unq 9 iso 0 dist 8.60363 12.6081 7.21285 13.1329 7.09483 5.68894 18.522 10.1296 10.3098 7.9575 numMergedOcc 0
10 mol 73 unq 10 iso 0 dist 8.60363 12.6081 7.21285 12.702 4.68175 7.32265 18.522 10.1296 10.3098 5.88827 numMergedOcc 0
11 mol 73 unq 11 iso 0 dist 8.60363 12.6081 7.21285 12.702 4.68175 7.32265 18.1369 11.0617 6.35914 9.66175 numMergedOcc 0
12 mol 73 unq 12 iso 0 dist 9.27331 14.1204 7.21285 11.8571 7.09483 5.68894 7.85784 10.1296 10.3098 7.9575 numMergedOcc 0
13 mol 73 unq 13 iso 0 dist 9.27331 14.1204 7.21285 7.45777 4.68175 7.32265 7.85784 10.1296 10.3098 5.88827 numMergedOcc 0
14 mol 73 unq 14 iso 0 dist 9.27331 14.1204 7.21285 7.45777 4.68175 7.32265 14.3054 11.0617 6.35914 9.66175 numMergedOcc 0
15 mol 90 unq 0 iso 0 dist 6.6146 6.3566 8.6308 9.06641 5.12529 7.94379 4.77556 5.28331 4.28396 7.01987 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 7.53834 10.7416 7.21636 18.979 12.5216 9.54774 16.7256 12.3356 6.79695 8.52131 numMergedOcc 0
17 mol 183 unq 0 iso 0 dist 7.69421 4.92164 9.82833 8.97652 9.01399 9.84649 14.3669 17.4248 14.1568 8.69656 numMergedOcc 0
18 mol 192 unq 0 iso 0 dist 7.30965 6.16078 7.72242 6.2016 5.21255 5.83093 9.82858 13.0939 9.42206 7.97601 numMergedOcc 0
19 mol 203 unq 0 iso 0 dist 7.9591 4.51654 8.8589 11.2429 9.33982 7.72215 13.8377 15.8337 9.99456 9.58652 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 9.89311 13.8587 8.21112 14.9475 8.82544 6.02053 12.3846 9.88692 6.20494 4.93303 numMergedOcc 0
21 mol 205 unq 1 iso 0 dist 9.89311 13.8587 8.21112 14.9475 8.82544 6.02053 21.6753 13.464 8.39697 9.95859 numMergedOcc 0
22 mol 205 unq 2 iso 0 dist 9.89311 9.6353 7.06533 14.9475 8.82544 7.41663 12.3846 9.88692 5.10421 4.93303 numMergedOcc 0
23 mol 205 unq 3 iso 0 dist 9.89311 9.6353 7.06533 14.9475 8.82544 7.41663 21.6753 13.464 12.776 9.95859 numMergedOcc 0
24 mol 226 unq 0 iso 0 dist 7.20862 15.6116 9.05082 16.5565 12.3913 8.24741 24.7782 18.9238 10.4 9.84378 numMergedOcc 0
25 mol 239 unq 0 iso 0 dist 6.00654 10.1043 8.78008 8.86185 8.20191 7.80073 6.16212 9.94177 7.79949 9.58325 numMergedOcc 0
26 mol 239 unq 1 iso 0 dist 9.59937 8.46058 8.01565 7.58554 5.94643 7.10828 10.9079 11.1939 10.0889 5.4687 numMergedOcc 0
27 mol 249 unq 0 iso 0 dist 7.58833 6.13333 6.04688 3.67935 4.88298 5.70674 8.32339 7.80866 5.63037 9.04147 numMergedOcc 0
28 mol 260 unq 0 iso 0 dist 9.18439 7.91317 9.05149 15.2183 11.3568 8.13605 14.7207 13.3487 8.05498 4.76164 numMergedOcc 0
