0 mol 25 unq 0 iso 0 dist 8.88413 7.05148 5.30154 5.59268 7.17969 7.92503 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 9.87281 7.05148 5.64303 6.17631 7.31767 8.6653 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 7.63928 7.05148 5.82503 6.17631 6.03987 8.6653 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 5.97635 4.38047 4.29856 6.76462 6.83299 6.14538 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.36193 5.84625 9.95364 5.40367 6.62496 8.80614 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 4.88613 5.84625 5.49591 5.40367 6.35756 8.80614 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 8.99491 6.23138 6.21578 4.96726 9.67592 9.97159 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 9.65047 9.49995 11.4333 5.69671 8.03644 9.49454 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 6.18763 9.34823 5.13589 5.3154 6.18601 6.73586 numMergedOcc 0
9 mol 126 unq 0 iso 0 dist 8.32241 8.97111 6.0268 4.84035 6.06638 6.30546 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 5.82404 6.72323 4.54648 10.2385 6.29155 6.16242 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 5.82404 6.72323 4.54648 4.64588 6.80239 5.87634 numMergedOcc 0
12 mol 133 unq 2 iso 0 dist 5.86531 6.42904 5.92062 6.26797 7.11802 9.22661 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 6.752 7.23557 5.8535 4.2475 7.45763 4.8668 numMergedOcc 0
14 mol 205 unq 1 iso 0 dist 5.4913 8.86587 5.8535 6.8901 7.45763 4.8668 numMergedOcc 0
15 mol 222 unq 0 iso 0 dist 7.85877 5.89818 7.75656 4.82768 7.21333 7.67576 numMergedOcc 0
16 mol 222 unq 1 iso 0 dist 7.85877 9.32543 16.0949 4.82768 7.21333 9.82371 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 9.29752 7.83422 8.80479 9.60401 8.27212 9.05071 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 5.73834 8.63176 5.63675 6.48867 6.60405 7.21311 numMergedOcc 0
19 mol 264 unq 0 iso 0 dist 8.19504 9.3201 5.00209 3.93713 6.24356 7.16853 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 9.71801 9.02071 6.20558 5.9882 7.56915 9.85289 numMergedOcc 0
