0 mol 7 unq 0 iso 0 dist 8.41585 9.68596 14.7759 9.87885 12.8323 10.1841 10.2446 7.88043 11.024 8.15894 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 9.68596 14.7759 9.87885 12.8323 10.1841 12.3097 8.80762 15.0497 8.45544 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 9.62879 7.18019 4.36226 9.01112 7.12261 4.1204 7.17012 11.2076 7.27018 8.83742 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.86014 9.41441 6.66749 7.95042 5.69214 10.0453 6.58998 10.7114 11.5841 8.24948 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.86116 9.41441 14.012 7.95042 5.11636 10.0453 6.58998 6.72502 11.5841 8.24948 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 7.36323 9.12854 5.59311 7.27472 5.50396 10.4353 10.0655 11.9933 16.8872 7.96195 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 8.66265 7.16773 6.63327 9.03564 6.75591 9.76482 10.1082 12.6652 14.5421 7.06146 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 5.08437 6.7117 7.06961 5.10496 3.9764 3.94967 7.32662 7.26086 8.43352 8.75597 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 5.08437 6.7117 7.06961 5.10496 3.9764 3.94967 12.3881 12.285 10.5879 9.18457 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 6.10456 4.47349 7.06961 7.54889 10.4782 3.92737 13.9572 15.6191 10.3996 6.83746 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 6.10456 4.47349 7.06961 7.54889 10.4782 3.92737 13.1975 12.285 10.5879 9.14707 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 6.10456 4.47349 7.06961 5.2571 3.9764 3.94967 6.934 7.26086 8.43352 8.75597 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 6.10456 4.47349 7.06961 5.2571 3.9764 3.94967 13.1975 12.285 10.5879 9.18457 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 8.73993 6.52773 7.20179 7.64052 9.68677 5.37917 3.78311 7.77116 8.8562 9.57341 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 8.73993 9.23858 9.89358 7.64052 9.68677 15.7711 3.78311 7.77116 7.91683 9.57341 numMergedOcc 0
15 mol 119 unq 2 iso 0 dist 9.87172 9.11344 10.9441 6.99446 6.20019 5.37917 4.99056 13.1741 8.8562 9.57341 numMergedOcc 0
16 mol 119 unq 3 iso 0 dist 6.18601 8.00003 10.4376 8.95212 4.39676 12.3661 13.52 12.6868 13.2766 9.57341 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 8.94367 6.23142 4.57832 9.33094 7.41373 6.93712 9.4027 8.20836 9.30061 5.11043 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 6.37586 6.23142 5.29786 9.33094 10.8635 6.93712 9.4027 10.873 9.30061 5.11043 numMergedOcc 0
19 mol 134 unq 2 iso 0 dist 6.49416 6.23142 5.71679 9.33094 12.3479 6.93712 9.4027 13.846 9.30061 5.11043 numMergedOcc 0
20 mol 134 unq 3 iso 0 dist 9.86662 9.94764 4.57832 9.1998 12.8086 11.5269 5.12325 8.20836 9.30061 6.99345 numMergedOcc 0
21 mol 134 unq 4 iso 0 dist 9.86662 9.94764 4.57832 8.69531 7.41373 6.93712 5.12325 8.20836 9.30061 5.11043 numMergedOcc 0
22 mol 134 unq 5 iso 0 dist 9.71307 9.94764 5.29786 9.1998 15.0225 11.5269 5.12325 10.873 9.30061 6.99345 numMergedOcc 0
23 mol 134 unq 6 iso 0 dist 9.71307 9.94764 5.29786 8.69531 10.8635 6.93712 5.12325 10.873 9.30061 5.11043 numMergedOcc 0
24 mol 143 unq 0 iso 0 dist 5.99315 7.78652 6.48978 5.40637 7.39837 10.0079 10.8441 13.4668 17.8758 8.68663 numMergedOcc 0
25 mol 143 unq 1 iso 0 dist 5.99315 8.91301 5.20762 5.40637 7.39837 9.05366 10.8441 13.4668 17.012 8.68663 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 6.03031 6.03688 8.15057 6.52816 9.49403 5.28417 5.54129 10.8209 9.90954 7.53395 numMergedOcc 0
27 mol 205 unq 1 iso 0 dist 7.26832 6.03688 12.4957 6.52816 13.514 5.28417 5.54129 10.0424 9.90954 7.53395 numMergedOcc 0
28 mol 205 unq 2 iso 0 dist 7.80463 6.03688 6.09749 6.52816 3.56269 5.28417 5.54129 10.03 9.90954 7.53395 numMergedOcc 0
29 mol 222 unq 0 iso 0 dist 6.00706 9.07471 7.75466 6.74196 8.84507 4.67663 6.42798 7.862 9.08955 7.97027 numMergedOcc 0
30 mol 222 unq 1 iso 0 dist 6.00706 9.07471 7.75466 8.36842 6.02502 6.37382 6.42798 7.862 9.08955 4.9876 numMergedOcc 0
31 mol 222 unq 2 iso 0 dist 7.54212 9.07471 13.3447 6.74196 12.8595 4.67663 6.42798 12.5287 9.08955 7.97027 numMergedOcc 0
32 mol 222 unq 3 iso 0 dist 7.54212 9.07471 13.3447 8.36842 12.5866 6.37382 6.42798 12.5287 9.08955 4.9876 numMergedOcc 0
33 mol 238 unq 0 iso 0 dist 5.72887 9.24557 14.7883 9.72188 7.06793 17.1065 10.7551 11.2809 14.4327 6.53286 numMergedOcc 0
