0 mol 85 unq 0 iso 0 dist 9.9795 13.0232 6.19965 18.5628 9.9705 9.67557 13.2455 4.26409 7.95579 6.53819 numMergedOcc 0
1 mol 85 unq 1 iso 0 dist 9.9795 13.0232 6.19965 18.5628 9.9705 9.67557 11.5591 6.9948 7.66905 15.3279 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 8.07365 14.1188 7.27724 19.6395 12.0894 9.64673 12.3834 8.41707 8.03644 16.4832 numMergedOcc 0
3 mol 95 unq 1 iso 0 dist 6.86713 9.70895 8.03644 19.349 16.4832 9.64673 12.4296 8.41707 7.27724 12.0894 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 8.66715 14.0905 7.11802 8.58727 5.34829 9.47554 9.00172 8.18495 8.00618 9.67676 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 9.00172 14.0905 8.00618 8.58727 9.67676 9.47554 8.66715 8.18495 7.11802 5.34829 numMergedOcc 0
6 mol 133 unq 2 iso 0 dist 8.95433 11.0811 7.11802 14.171 5.34829 9.47554 13.7786 8.18495 8.00618 9.67676 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 5.79157 13.0109 9.86662 15.3362 9.66197 9.16358 9.87619 6.81259 8.94367 10.0911 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 5.79157 14.1608 9.71307 15.3362 9.66197 6.48328 9.87619 6.81259 6.37586 10.0911 numMergedOcc 0
9 mol 205 unq 0 iso 0 dist 9.25882 9.40714 7.80463 11.5853 9.67882 8.52924 13.7769 8.18714 6.03031 7.17157 numMergedOcc 0
10 mol 205 unq 1 iso 0 dist 9.25882 9.40714 7.80463 11.5853 9.67882 8.52924 16.4532 13.8543 7.26832 11.993 numMergedOcc 0
11 mol 222 unq 0 iso 0 dist 7.88846 6.17038 7.54212 9.23304 10.4837 6.77368 10.9296 6.8425 6.00706 8.47937 numMergedOcc 0
12 mol 222 unq 1 iso 0 dist 7.88846 6.17038 7.54212 13.0748 9.69122 7.73634 10.9296 6.8425 6.00706 4.81992 numMergedOcc 0
13 mol 236 unq 0 iso 0 dist 5.77925 8.93012 6.84306 8.74211 5.03564 6.61371 11.8216 7.28249 7.68742 9.63949 numMergedOcc 0
14 mol 236 unq 1 iso 0 dist 5.77925 12.1686 9.99038 16.2516 13.6195 5.90804 11.8216 7.28249 6.27581 7.45579 numMergedOcc 0
15 mol 236 unq 2 iso 0 dist 8.95071 12.8358 6.27581 17.7829 10.5269 7.87233 16.0063 9.90963 9.81562 15.6279 numMergedOcc 0
16 mol 236 unq 3 iso 0 dist 8.95071 12.8358 6.27581 17.7829 10.5269 7.87233 17.4517 11.3368 7.68742 13.7246 numMergedOcc 0
17 mol 249 unq 0 iso 0 dist 7.79723 4.24754 7.57994 5.36183 5.59015 6.26142 8.14526 5.01979 6.18582 4.77325 numMergedOcc 0
18 mol 249 unq 1 iso 0 dist 8.14526 4.24754 6.18582 5.36183 4.77325 6.26142 7.79723 5.01979 7.57994 5.59015 numMergedOcc 0
19 mol 253 unq 0 iso 0 dist 7.38315 10.6994 7.32223 10.7957 5.32928 8.82388 13.8059 7.25988 8.31064 9.65021 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 9.2067 9.88911 6.42289 15.0241 5.90131 9.04358 11.1938 7.26417 6.60405 8.81588 numMergedOcc 0
