0 mol 117 unq 0 iso 0 dist 8.98848 4.82309 6.90827 14.6332 9.85576 13.2842 14.6144 7.90328 10.4485 10.4589 numMergedOcc 0
1 mol 117 unq 1 iso 0 dist 8.98848 4.82309 6.90827 14.6332 9.85576 13.2842 10.0436 7.83136 5.27151 14.2649 numMergedOcc 0
2 mol 117 unq 2 iso 0 dist 8.98848 4.82309 6.90827 14.6332 9.85576 13.2842 6.81312 7.0603 4.45276 9.53886 numMergedOcc 0
3 mol 117 unq 3 iso 0 dist 8.98848 3.47603 8.90977 14.6332 9.85576 12.0106 14.6144 7.90328 13.8755 10.4589 numMergedOcc 0
4 mol 117 unq 4 iso 0 dist 8.98848 3.47603 8.90977 14.6332 9.85576 12.0106 10.0436 7.83136 10.6616 14.2649 numMergedOcc 0
5 mol 117 unq 5 iso 0 dist 8.98848 3.47603 8.90977 14.6332 9.85576 12.0106 6.81312 7.0603 4.98254 9.53886 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 6.1421 12.3343 9.28278 7.55004 6.29026 4.99299 7.86921 8.54584 14.5776 11.5533 numMergedOcc 0
7 mol 129 unq 1 iso 0 dist 9.54663 10.4416 9.28278 8.10347 6.29026 4.99299 6.95124 8.54584 14.5776 11.5533 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 6.44766 11.2112 7.81337 9.91056 8.97145 6.68239 7.69184 6.85062 11.4498 14.257 numMergedOcc 0
9 mol 131 unq 1 iso 0 dist 6.44766 11.2112 7.81337 4.56884 6.5874 7.74794 7.69184 6.85062 11.4498 7.60371 numMergedOcc 0
10 mol 214 unq 0 iso 0 dist 9.33638 16.7561 9.51764 13.5629 8.49704 15.3761 15.9383 9.65138 6.28065 12.4611 numMergedOcc 0
11 mol 214 unq 1 iso 0 dist 9.33638 16.7561 9.51764 13.5629 8.49704 15.3761 7.31241 7.14453 11.2159 11.832 numMergedOcc 0
12 mol 214 unq 2 iso 0 dist 9.33638 16.7561 9.51764 13.5629 8.49704 15.3761 17.0758 8.85478 6.53326 10.644 numMergedOcc 0
13 mol 214 unq 3 iso 0 dist 9.33638 5.24733 5.36829 13.5629 8.49704 8.72971 15.9383 9.65138 11.7583 12.4611 numMergedOcc 0
14 mol 214 unq 4 iso 0 dist 9.33638 5.24733 5.36829 13.5629 8.49704 8.72971 7.31241 7.14453 4.98764 11.832 numMergedOcc 0
15 mol 214 unq 5 iso 0 dist 9.33638 5.24733 5.36829 13.5629 8.49704 8.72971 17.0758 8.85478 12.3481 10.644 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 9.94587 5.6925 6.24928 15.1802 9.75174 9.87348 4.3284 6.57393 5.33567 13.477 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 9.73858 5.61461 6.44212 11.2409 6.37342 11.0479 7.43079 6.16342 7.97883 5.29737 numMergedOcc 0
18 mol 249 unq 0 iso 0 dist 9.14351 8.05633 6.37672 10.0482 7.29898 11.3437 12.1004 7.57994 9.07501 6.6173 numMergedOcc 0
19 mol 249 unq 1 iso 0 dist 9.14351 8.05633 6.37672 10.0482 7.29898 11.3437 9.40115 6.18582 4.24014 8.95486 numMergedOcc 0
20 mol 249 unq 2 iso 0 dist 9.14351 8.05633 6.37672 14.5045 8.91685 13.0712 12.1004 7.57994 9.07501 5.25611 numMergedOcc 0
21 mol 249 unq 3 iso 0 dist 9.14351 8.05633 6.37672 14.5045 8.91685 13.0712 9.40115 6.18582 4.24014 9.66184 numMergedOcc 0
22 mol 249 unq 4 iso 0 dist 9.14351 6.09778 8.94023 10.0482 7.29898 11.2158 12.1004 7.57994 9.53929 6.6173 numMergedOcc 0
23 mol 249 unq 5 iso 0 dist 9.14351 6.09778 8.94023 10.0482 7.29898 11.2158 9.40115 6.18582 5.36989 8.95486 numMergedOcc 0
24 mol 249 unq 6 iso 0 dist 9.14351 6.09778 8.94023 14.5045 8.91685 13.8209 12.1004 7.57994 9.53929 5.25611 numMergedOcc 0
25 mol 249 unq 7 iso 0 dist 9.14351 6.09778 8.94023 14.5045 8.91685 13.8209 9.40115 6.18582 5.36989 9.66184 numMergedOcc 0
26 mol 253 unq 0 iso 0 dist 9.75753 12.1288 5.89502 11.2081 7.7993 4.10634 15.0268 9.02271 9.25001 13.0587 numMergedOcc 0
27 mol 253 unq 1 iso 0 dist 9.75753 12.1288 5.89502 11.7837 6.10761 4.97753 15.0268 9.02271 9.25001 4.70422 numMergedOcc 0
28 mol 253 unq 2 iso 0 dist 9.75753 15.7857 7.15815 11.2081 7.7993 11.0688 15.0268 9.02271 4.93871 13.0587 numMergedOcc 0
29 mol 253 unq 3 iso 0 dist 9.75753 15.7857 7.15815 11.7837 6.10761 5.23198 15.0268 9.02271 4.93871 4.70422 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 9.89728 18.6806 9.54857 16.8866 7.93997 5.09929 5.07898 7.46176 15.3806 14.8465 numMergedOcc 0
31 mol 277 unq 0 iso 0 dist 6.86014 11.7966 9.29635 9.93994 6.90434 15.5244 4.83355 9.7748 10.8075 13.2927 numMergedOcc 0
32 mol 277 unq 1 iso 0 dist 5.97073 7.00586 9.29635 9.83255 6.90434 15.5244 11.2857 9.7748 10.8075 13.2927 numMergedOcc 0
33 mol 277 unq 2 iso 0 dist 6.49176 7.86614 9.29635 11.3539 6.90434 15.5244 14.4976 9.7748 10.8075 13.2927 numMergedOcc 0
34 mol 279 unq 0 iso 0 dist 9.60619 15.5414 7.74162 6.56932 8.13489 11.6227 9.96126 9.70696 9.5773 5.51096 numMergedOcc 0
