0 mol 48 unq 0 iso 0 dist 9.93628 6.21973 7.78475 10.8019 9.49774 6.21391 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 9.20373 8.97716 5.7405 17.3249 9.17082 14.2744 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.67118 12.8082 6.34966 9.54097 6.74766 9.80391 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 6.04768 6.14241 4.96613 4.81103 7.14031 5.24592 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 9.40173 10.8152 4.96613 7.22196 7.14031 5.24592 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 7.1754 5.22656 9.1593 9.82137 9.5057 12.6358 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 7.1754 5.22656 9.1593 4.42919 5.75014 7.74959 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.05937 4.92027 6.13508 7.21894 7.20249 5.01597 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 7.38183 13.1656 7.35385 14.0112 6.75376 7.20376 numMergedOcc 0
9 mol 156 unq 0 iso 0 dist 6.00295 4.67196 8.60394 5.309 5.41575 6.63678 numMergedOcc 0
10 mol 156 unq 1 iso 0 dist 6.00295 4.67196 8.60394 6.07262 6.86566 10.2316 numMergedOcc 0
11 mol 156 unq 2 iso 0 dist 6.40435 13.5806 9.6281 6.47073 8.37434 9.69888 numMergedOcc 0
12 mol 156 unq 3 iso 0 dist 6.40435 4.87536 6.22667 6.47073 8.37434 5.36066 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 8.09667 4.29134 9.53805 5.96605 6.21159 8.03698 numMergedOcc 0
14 mol 226 unq 0 iso 0 dist 6.82883 16.1524 9.61639 4.97624 5.70795 13.4246 numMergedOcc 0
15 mol 226 unq 1 iso 0 dist 8.22518 15.429 9.61639 5.55393 5.70795 13.4246 numMergedOcc 0
16 mol 226 unq 2 iso 0 dist 6.02803 5.77365 9.61639 9.35407 5.70795 13.4246 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 6.71099 6.26321 9.92671 7.46856 9.78181 13.2481 numMergedOcc 0
18 mol 250 unq 0 iso 0 dist 9.71793 7.11512 9.62767 11.464 9.70149 13.7548 numMergedOcc 0
19 mol 250 unq 1 iso 0 dist 9.71793 5.27829 5.99119 11.464 9.70149 12.1185 numMergedOcc 0
20 mol 271 unq 0 iso 0 dist 8.7861 8.45553 5.70063 13.4659 5.92274 7.0065 numMergedOcc 0
