0 mol 8 unq 0 iso 0 dist 4.92734 7.35767 8.96553 6.57999 8.4069 9.62879 5.24855 9.49106 5.43751 7.45487 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.84569 5.46269 5.46498 9.59856 5.32694 7.63133 9.57729 8.67719 6.53177 5.84479 numMergedOcc 0
2 mol 109 unq 0 iso 0 dist 7.51061 5.29855 7.34473 11.8872 7 8.58044 5.07258 8.21889 5.5332 9.74643 numMergedOcc 0
3 mol 109 unq 1 iso 0 dist 7.51061 5.29855 7.34473 10.7963 8.40993 9.97763 5.07258 8.21889 5.5332 6.86702 numMergedOcc 0
4 mol 117 unq 0 iso 0 dist 8.81172 5.34484 9.84395 11.6152 13.1058 7.90328 8.93179 12.1493 10.4589 9.85576 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 9.33945 12.3624 8.40312 17.4482 10.7062 6.85062 26.0988 19.4361 14.257 8.97145 numMergedOcc 0
6 mol 131 unq 1 iso 0 dist 9.33945 12.3624 8.40312 17.4482 10.7062 6.85062 19.7657 15.1013 7.60371 6.5874 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 9.79004 10.0277 7.24514 14.9707 6.761 9.91388 19.9412 14.1743 11.6637 9.48243 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 5.57904 7.41837 6.54501 11.3191 5.79898 9.89303 16.4412 11.4625 11.454 7.78849 numMergedOcc 0
9 mol 142 unq 0 iso 0 dist 9.14908 6.3846 5.31024 10.9228 5.32922 9.2313 16.4668 10.5524 13.1936 7.57458 numMergedOcc 0
10 mol 142 unq 1 iso 0 dist 9.14908 4.39297 7.26382 10.9228 5.32922 7.73169 16.4668 10.5524 12.288 7.57458 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 9.19499 5.66289 7.44554 13.581 8.38403 9.83699 14.4184 13.6067 9.27577 9.16591 numMergedOcc 0
12 mol 156 unq 1 iso 0 dist 7.11647 5.66289 8.94056 13.581 11.2719 9.83699 14.4184 16.4964 9.27577 9.16591 numMergedOcc 0
13 mol 156 unq 2 iso 0 dist 9.68507 9.75709 7.66148 10.2339 10.1658 8.94056 13.5806 10.6034 5.75141 7.30021 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 9.73411 9.81806 6.57273 10.1632 5.0744 6.60589 13.9782 9.33771 4.91322 7.39839 numMergedOcc 0
15 mol 224 unq 1 iso 0 dist 9.73411 5.99647 5.78342 10.1632 5.0744 9.16166 13.9782 9.33771 12.979 7.39839 numMergedOcc 0
16 mol 224 unq 2 iso 0 dist 7.75485 5.99647 5.81334 9.73411 5.60236 5.78342 13.9782 13.527 12.979 9.33771 numMergedOcc 0
17 mol 224 unq 3 iso 0 dist 7.75485 5.99647 5.81334 10.1632 6.91102 9.16166 13.9782 13.527 12.979 7.39839 numMergedOcc 0
18 mol 224 unq 4 iso 0 dist 7.07564 10.8463 6.57273 12.0295 5.0744 6.60589 14.788 9.33771 4.91322 7.39839 numMergedOcc 0
19 mol 224 unq 5 iso 0 dist 7.07564 5.44863 5.78342 12.0295 5.0744 9.16166 14.788 9.33771 12.979 7.39839 numMergedOcc 0
20 mol 224 unq 6 iso 0 dist 9.11052 5.44863 5.81334 7.07564 5.60236 5.78342 14.788 13.527 12.979 9.33771 numMergedOcc 0
21 mol 224 unq 7 iso 0 dist 9.11052 5.44863 5.81334 12.0295 6.91102 9.16166 14.788 13.527 12.979 7.39839 numMergedOcc 0
22 mol 229 unq 0 iso 0 dist 5.00457 5.65373 7.03423 8.8557 5.57838 8.22528 9.61847 10.7645 11.9226 9.84492 numMergedOcc 0
23 mol 231 unq 0 iso 0 dist 8.91036 10.613 7.37839 12.2364 4.06055 8.40182 14.3729 7.79865 5.3251 6.14348 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 4.87108 7.45873 6.22714 7.64276 5.34096 7.31233 12.2489 10.2654 12.1448 5.24313 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 6.54455 5.17954 6.22714 10.2875 5.34096 7.31233 15.503 10.2654 12.1448 5.24313 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 9.05762 5.79827 6.05727 9.95681 5.51688 8.02547 11.6193 13.3636 10.5691 9.62828 numMergedOcc 0
27 mol 272 unq 0 iso 0 dist 7.31993 10.4451 8.46116 12.3168 5.40809 8.33638 17.7444 11.7245 9.58279 6.94346 numMergedOcc 0
