0 mol 12 unq 0 iso 0 dist 6.91627 12.7938 8.99098 6.7002 7.8865 8.37383 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 6.30807 5.8083 7.45133 6.67111 5.5814 10.3527 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 9.49676 12.2047 7.88321 6.12182 5.73067 6.31521 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 4.90079 5.50714 7.68053 4.53359 7.75811 6.1985 numMergedOcc 0
4 mol 110 unq 0 iso 0 dist 5.36955 6.98012 9.71431 4.37283 8.181 7.3992 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 7.99121 6.64473 5.87592 6.8104 4.98864 5.19652 numMergedOcc 0
6 mol 115 unq 1 iso 0 dist 6.30982 6.64473 8.37388 6.8104 7.95871 5.19652 numMergedOcc 0
7 mol 115 unq 2 iso 0 dist 6.30982 6.64473 8.37388 5.79342 9.80286 11.5824 numMergedOcc 0
8 mol 128 unq 0 iso 0 dist 8.98367 12.3372 9.74232 8.67813 8.01677 6.59161 numMergedOcc 0
9 mol 173 unq 0 iso 0 dist 7.76856 7.11016 9.9855 11.3653 8.1088 8.01577 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 5.08796 8.22885 9.14877 10.9813 9.84952 7.07865 numMergedOcc 0
11 mol 181 unq 1 iso 0 dist 5.08796 5.58305 8.18021 10.9813 9.84952 13.9526 numMergedOcc 0
12 mol 225 unq 0 iso 0 dist 6.83539 12.0772 7.86364 4.41663 9.86371 13.4294 numMergedOcc 0
13 mol 235 unq 0 iso 0 dist 9.61454 7.46421 8.52954 9.77128 7.08539 12.2063 numMergedOcc 0
14 mol 244 unq 0 iso 0 dist 7.00974 12.6177 8.19381 9.23493 7.65388 8.82711 numMergedOcc 0
15 mol 244 unq 1 iso 0 dist 7.00974 11.5282 8.93421 9.23493 7.65388 16.3489 numMergedOcc 0
16 mol 244 unq 2 iso 0 dist 7.00974 12.6014 7.35657 9.23493 7.65388 14.6599 numMergedOcc 0
17 mol 244 unq 3 iso 0 dist 7.00974 5.30507 6.19605 9.23493 7.65388 11.9885 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 8.62592 5.06393 6.41167 6.60345 5.73834 5.13233 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 6.83706 8.59148 9.03983 9.03495 6.42725 7.27401 numMergedOcc 0
20 mol 271 unq 0 iso 0 dist 8.74168 8.8277 8.54162 4.75339 9.56149 5.31774 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 9.96682 15.9289 7.03782 13.2905 9.09967 7.60191 numMergedOcc 0
22 mol 274 unq 1 iso 0 dist 9.96682 15.9289 7.03782 4.68199 8.49076 13.8866 numMergedOcc 0
