0 mol 14 unq 0 iso 0 dist 8.64855 15.5387 9.58196 11.8313 4.53725 9.04767 10.6766 10.3349 10.6873 9.58855 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.06275 10.4413 6.20293 12.0618 5.06502 5.73819 11.8036 10.0649 5.48048 8.44903 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.90024 5.84171 6.20293 6.84521 5.06502 5.73819 10.0977 10.0649 5.48048 8.44903 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 6.78532 5.84171 8.93915 6.84521 5.89973 5.73819 10.0977 13.5072 5.48048 8.44903 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.9795 13.0232 6.19965 13.2455 4.26409 7.95579 11.5334 7.1589 5.08358 8.00777 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 8.05028 6.32175 9.97763 9.23803 6.94915 8.58044 9.05816 13.2677 5.54205 8.89913 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 4.68975 9.30817 9.89303 4.9155 5.79898 6.54501 7.07077 10.0513 5.35679 5.53031 numMergedOcc 0
7 mol 134 unq 1 iso 0 dist 8.84656 10.879 6.37586 10.9216 5.49782 8.94367 17.112 10.873 9.4027 8.20836 numMergedOcc 0
8 mol 134 unq 2 iso 0 dist 8.84656 10.879 6.37586 4.9155 5.00817 6.49416 7.07077 10.1537 8.46636 5.53031 numMergedOcc 0
9 mol 134 unq 3 iso 0 dist 8.84656 16.7911 9.71307 10.9216 5.49782 9.86662 17.112 10.873 5.12325 8.20836 numMergedOcc 0
10 mol 134 unq 4 iso 0 dist 4.9155 10.879 6.49416 10.9216 8.80819 8.94367 17.112 13.846 9.4027 8.20836 numMergedOcc 0
11 mol 134 unq 5 iso 0 dist 8.49987 10.9399 6.49416 14.7559 8.80819 8.94367 17.9211 13.846 9.4027 8.20836 numMergedOcc 0
12 mol 134 unq 6 iso 0 dist 9.42271 7.07625 6.49416 9.79337 8.80819 8.94367 9.75179 13.846 9.4027 8.20836 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 8.34839 10.5295 6.70283 12.6531 5.42328 5.87555 12.369 10.4911 5.59336 8.35555 numMergedOcc 0
14 mol 152 unq 1 iso 0 dist 8.34839 10.7929 7.16148 12.6531 5.42328 8.87437 12.369 10.4911 10.9728 8.35555 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 9.74465 8.42326 8.03334 17.2412 13.2049 9.1374 21.8429 15.2991 13.8722 6.51749 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 8.27794 4.89429 9.09537 10.4189 10.1912 5.98885 8.07046 7.20392 5.93488 6.51749 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.77347 6.05728 7.54065 10.7364 5.74635 8.87694 6.2749 7.20574 8.90184 6.85302 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 8.77347 6.05728 7.54065 10.7364 5.74635 8.87694 11.3417 13.6209 12.8303 9.98215 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 9.25882 9.40714 7.80463 13.7769 8.18714 6.03031 13.5614 11.3521 5.28092 8.44861 numMergedOcc 0
20 mol 205 unq 1 iso 0 dist 9.25882 9.40714 7.80463 16.4532 13.8543 7.26832 13.5614 11.3521 5.28092 5.60393 numMergedOcc 0
21 mol 222 unq 0 iso 0 dist 7.88846 6.17038 7.54212 10.9296 6.8425 6.00706 12.1321 12.5287 6.42798 7.862 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 5.77925 6.59536 8.03456 11.8216 7.28249 9.81562 12.8959 11.9847 7.22918 8.50331 numMergedOcc 0
23 mol 236 unq 1 iso 0 dist 5.77925 8.93012 6.84306 11.8216 7.28249 7.68742 12.8959 11.9847 9.05842 8.50331 numMergedOcc 0
24 mol 236 unq 2 iso 0 dist 5.77925 12.1686 9.99038 11.8216 7.28249 6.27581 12.8959 11.9847 7.00028 8.50331 numMergedOcc 0
25 mol 252 unq 0 iso 0 dist 6.17985 6.02958 8.33025 13.0333 14.9102 7.19638 8.38412 12.322 5.25252 6.86945 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 9.2067 9.88911 6.42289 11.1938 7.26417 6.60405 5.00301 7.99477 7.42673 6.70815 numMergedOcc 0
