0 mol 11 unq 0 iso 0 dist 5.56531 4.80143 8.01262 5.8689 4.13124 6.79478 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.72036 14.3492 9.02471 12.9244 5.46849 9.74445 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 6.16745 5.78226 6.23522 12.0249 8.0072 9.68526 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 6.16745 5.78226 6.23522 11.2944 9.61302 9.72442 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 6.29267 4.98967 5.25027 8.21723 8.33013 8.0614 numMergedOcc 0
5 mol 81 unq 0 iso 0 dist 4.95504 4.35132 5.51927 10.42 7.4961 9.35818 numMergedOcc 0
6 mol 110 unq 0 iso 0 dist 7.59747 5.33778 9.10911 7.67702 7.32685 5.25492 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 8.51084 4.41283 9.06601 5.05141 10.3018 8.42147 numMergedOcc 0
8 mol 111 unq 1 iso 0 dist 5.53271 4.41283 5.98809 5.05141 4.88926 8.42147 numMergedOcc 0
9 mol 124 unq 0 iso 0 dist 8.06631 11.5024 8.57739 9.98988 3.75669 9.91381 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 6.01995 4.90674 5.78814 9.71281 3.75786 8.84018 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 5.86693 4.93029 7.46621 7.97262 6.97119 6.42756 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 8.94352 6.97147 6.73617 13.6765 6.99467 9.18866 numMergedOcc 0
13 mol 178 unq 0 iso 0 dist 6.3472 4.51874 4.72821 9.32502 12.4011 8.0974 numMergedOcc 0
14 mol 258 unq 0 iso 0 dist 4.98907 5.29393 8.03012 7.42888 8.9947 5.73296 numMergedOcc 0
15 mol 274 unq 0 iso 0 dist 9.89615 15.8358 8.12739 22.0305 12.2201 9.02749 numMergedOcc 0
16 mol 274 unq 1 iso 0 dist 5.77565 4.68199 8.12739 11.9894 12.2201 9.02749 numMergedOcc 0
17 mol 274 unq 2 iso 0 dist 6.32853 4.68199 6.09853 11.9894 12.2802 9.02749 numMergedOcc 0
18 mol 294 unq 0 iso 0 dist 5.18334 9.07177 7.56669 7.71392 5.71856 9.70907 numMergedOcc 0
19 mol 294 unq 1 iso 0 dist 5.18334 9.07177 7.56669 7.6859 4.99494 6.47832 numMergedOcc 0
20 mol 294 unq 2 iso 0 dist 6.44588 5.08625 7.56669 6.6112 5.71856 9.70907 numMergedOcc 0
21 mol 294 unq 3 iso 0 dist 6.44588 5.08625 7.56669 8.35722 4.99494 6.47832 numMergedOcc 0
