0 mol 25 unq 0 iso 0 dist 9.26381 6.74726 8.88413 11.2792 5.59268 7.17969 19.5768 13.0464 14.4191 8.40051 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.07937 14.9314 6.88695 10.6139 5.3315 8.34347 14.7616 12.5689 15.0931 9.7522 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 6.42206 4.76147 6.88695 7.34549 5.3315 8.34347 11.0672 12.5689 15.0931 9.7522 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 9.66602 5.93227 6.88695 9.72289 5.3315 8.34347 18.4863 12.5689 15.0931 9.7522 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 8.21127 6.86762 5.02717 12.9567 5.28901 7.30858 13.6739 10.8042 8.25001 9.35868 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 8.21127 6.86762 5.02717 11.7895 11.0268 7.88312 15.562 14.7907 10.9437 4.98864 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 8.21127 6.86762 5.02717 11.7895 11.0268 7.88312 15.1687 16.7534 12.0354 7.95871 numMergedOcc 0
7 mol 115 unq 3 iso 0 dist 7.99121 6.8104 4.98864 11.2519 10.9437 7.88312 15.2887 14.7907 11.0268 5.02717 numMergedOcc 0
8 mol 115 unq 4 iso 0 dist 6.30982 6.8104 7.95871 11.2519 12.0354 7.88312 15.2887 16.7534 11.0268 5.02717 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 5.7232 8.76089 9.50322 8.94909 5.37072 7.11802 6.45157 7.12336 6.26797 5.86531 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 5.7232 6.80087 5.82404 8.94909 5.37072 8.00618 6.45157 7.12336 9.73435 5.86531 numMergedOcc 0
11 mol 196 unq 0 iso 0 dist 5.76319 7.23208 9.99314 10.2561 6.70722 9.62191 7.42251 7.556 4.59462 6.87731 numMergedOcc 0
12 mol 196 unq 1 iso 0 dist 5.30132 11.373 9.99314 11.7823 6.70722 9.62191 10.0417 7.556 4.59462 6.87731 numMergedOcc 0
13 mol 196 unq 2 iso 0 dist 8.36119 4.76275 9.99314 8.69629 6.70722 9.62191 7.06113 7.556 4.59462 6.87731 numMergedOcc 0
14 mol 235 unq 0 iso 0 dist 9.61454 9.77128 7.08539 14.1669 7.38431 5.4638 13.2098 12.1257 5.23741 8.48065 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 4.43243 5.03598 5.66569 11.0371 11.2013 9.99038 16.6023 14.4736 13.8124 8.90987 numMergedOcc 0
16 mol 236 unq 1 iso 0 dist 5.92025 5.03598 6.11137 11.0371 15.1664 9.99038 16.6023 18.1269 13.8124 8.90987 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 9.61428 5.77573 9.13537 12.0065 10.3859 6.57393 10.4312 13.7774 5.33567 6.24928 numMergedOcc 0
18 mol 241 unq 0 iso 0 dist 7.79013 10.2076 9.10633 8.18588 7.20238 7.4631 5.06075 9.40808 6.72492 8.40773 numMergedOcc 0
19 mol 241 unq 1 iso 0 dist 7.79013 10.2076 9.10633 8.18588 7.20238 7.4631 13.1806 15.6286 9.87799 9.18476 numMergedOcc 0
20 mol 241 unq 2 iso 0 dist 9.33399 10.1832 9.10633 14.333 7.20238 7.4631 11.2556 9.40808 6.72492 8.40773 numMergedOcc 0
21 mol 241 unq 3 iso 0 dist 9.33399 10.1832 9.10633 14.333 7.20238 7.4631 19.6599 15.6286 9.87799 9.18476 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 8.93002 5.56656 8.06771 5.29682 6.64729 8.13497 6.00285 9.05363 10.4985 5.90645 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 6.83706 9.03495 6.42725 10.0986 8.70769 5.30224 11.3955 5.30455 5.59901 9.12507 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 5.76223 9.5588 9.30668 10.7611 8.04474 8.2734 11.5556 12.7106 5.26243 9.20416 numMergedOcc 0
25 mol 292 unq 1 iso 0 dist 5.76223 9.5588 9.30668 10.7611 8.04474 8.2734 11.6897 8.35169 5.58251 7.53641 numMergedOcc 0
