0 mol 76 unq 0 iso 0 dist 9.79714 3.80683 9.71952 12.4461 6.83992 10.129 numMergedOcc 0
1 mol 76 unq 1 iso 0 dist 9.79714 6.77296 7.28257 12.4461 6.83992 6.28909 numMergedOcc 0
2 mol 117 unq 0 iso 0 dist 8.98848 4.82309 6.90827 14.6332 9.85576 13.2842 numMergedOcc 0
3 mol 117 unq 1 iso 0 dist 8.98848 3.47603 8.90977 14.6332 9.85576 12.0106 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 6.1421 12.3343 9.28278 7.55004 6.29026 4.99299 numMergedOcc 0
5 mol 129 unq 1 iso 0 dist 9.54663 10.4416 9.28278 8.10347 6.29026 4.99299 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 6.44766 11.2112 7.81337 9.91056 8.97145 6.68239 numMergedOcc 0
7 mol 131 unq 1 iso 0 dist 6.44766 11.2112 7.81337 4.56884 6.5874 7.74794 numMergedOcc 0
8 mol 176 unq 0 iso 0 dist 9.84636 15.867 7.30954 16.2248 9.03194 8.67242 numMergedOcc 0
9 mol 214 unq 0 iso 0 dist 9.33638 16.7561 9.51764 13.5629 8.49704 15.3761 numMergedOcc 0
10 mol 214 unq 1 iso 0 dist 9.33638 5.24733 5.36829 13.5629 8.49704 8.72971 numMergedOcc 0
11 mol 238 unq 0 iso 0 dist 9.94587 5.6925 6.24928 15.1802 9.75174 9.87348 numMergedOcc 0
12 mol 239 unq 0 iso 0 dist 9.73858 5.61461 6.44212 11.2409 6.37342 11.0479 numMergedOcc 0
13 mol 249 unq 0 iso 0 dist 9.14351 8.05633 6.37672 10.0482 7.29898 11.3437 numMergedOcc 0
14 mol 249 unq 1 iso 0 dist 9.14351 8.05633 6.37672 14.5045 8.91685 13.0712 numMergedOcc 0
15 mol 249 unq 2 iso 0 dist 9.14351 6.09778 8.94023 10.0482 7.29898 11.2158 numMergedOcc 0
16 mol 249 unq 3 iso 0 dist 9.14351 6.09778 8.94023 14.5045 8.91685 13.8209 numMergedOcc 0
17 mol 253 unq 0 iso 0 dist 9.75753 12.1288 5.89502 11.2081 7.7993 4.10634 numMergedOcc 0
18 mol 253 unq 1 iso 0 dist 9.75753 12.1288 5.89502 11.7837 6.10761 4.97753 numMergedOcc 0
19 mol 253 unq 2 iso 0 dist 9.75753 15.7857 7.15815 11.2081 7.7993 11.0688 numMergedOcc 0
20 mol 253 unq 3 iso 0 dist 9.75753 15.7857 7.15815 11.7837 6.10761 5.23198 numMergedOcc 0
21 mol 257 unq 0 iso 0 dist 6.44188 9.11516 9.83721 4.43997 8.18901 13.0082 numMergedOcc 0
22 mol 257 unq 1 iso 0 dist 5.13633 12.611 9.83721 3.72932 8.18901 13.0082 numMergedOcc 0
23 mol 257 unq 2 iso 0 dist 8.99981 6.07988 6.36911 5.42185 4.97263 5.95774 numMergedOcc 0
24 mol 257 unq 3 iso 0 dist 8.99981 6.07988 6.36911 8.57097 7.0132 4.80733 numMergedOcc 0
25 mol 257 unq 4 iso 0 dist 6.50405 6.07988 7.82899 5.42185 5.36776 5.95774 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 9.89728 18.6806 9.54857 16.8866 7.93997 5.09929 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 6.86014 11.7966 9.29635 9.93994 6.90434 15.5244 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 5.97073 7.00586 9.29635 9.83255 6.90434 15.5244 numMergedOcc 0
29 mol 277 unq 2 iso 0 dist 8.23147 3.72575 8.96343 11.3539 9.02914 13.4151 numMergedOcc 0
30 mol 277 unq 3 iso 0 dist 6.49176 7.86614 9.29635 11.3539 6.90434 15.5244 numMergedOcc 0
31 mol 277 unq 4 iso 0 dist 5.22392 11.3025 9.77689 14.247 9.98528 7.41383 numMergedOcc 0
32 mol 277 unq 5 iso 0 dist 5.22392 4.1574 8.51931 14.247 9.98528 17.1833 numMergedOcc 0
33 mol 277 unq 6 iso 0 dist 8.20217 4.1574 8.96343 13.4481 9.02914 13.4151 numMergedOcc 0
34 mol 279 unq 0 iso 0 dist 9.60619 15.5414 7.74162 6.56932 8.13489 11.6227 numMergedOcc 0
