0 mol 0 unq 0 iso 0 dist 9.42137 7.31837 5.24778 14.5258 7.15528 11.2263 13.5016 5.47921 7.16396 6.94181 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.87281 7.05148 5.64303 6.17631 7.31767 8.6653 9.81087 10.747 12.1434 6.23095 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 7.63928 7.05148 5.82503 6.17631 6.03987 8.6653 9.81087 11.5983 12.1434 6.23095 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 9.7522 8.99751 10.797 15.0931 8.34347 18.8417 15.7779 6.4487 16.3094 7.51406 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 9.7522 9.44507 10.9837 15.0931 8.34347 18.1487 15.7779 6.4487 16.8694 7.51406 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 5.97635 4.38047 4.29856 13.2619 8.10861 10.4158 8.34361 5.65405 5.01159 6.54183 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 4.98864 6.66022 5.22052 6.59772 6.11741 11.0224 5.87592 5.19652 5.16645 8.97043 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 5.63005 9.34823 12.0175 10.5268 8.73993 17.8739 15.5348 10.5726 21.2977 8.88255 numMergedOcc 0
8 mol 126 unq 0 iso 0 dist 8.32241 8.97111 6.0268 4.84035 6.06638 6.30546 10.6754 5.50061 5.23583 6.24392 numMergedOcc 0
9 mol 210 unq 0 iso 0 dist 8.62103 9.26092 10.4168 3.84723 6.18308 11.18 10.7258 12.9212 18.231 8.71409 numMergedOcc 0
10 mol 222 unq 0 iso 0 dist 7.85877 5.89818 7.75656 4.82768 7.21333 7.67576 9.27422 5.60111 10.3328 5.47561 numMergedOcc 0
11 mol 222 unq 1 iso 0 dist 7.85877 9.32543 16.0949 4.82768 7.21333 9.82371 9.27422 5.60111 15.0445 5.47561 numMergedOcc 0
12 mol 232 unq 0 iso 0 dist 9.29752 9.41148 12.5452 9.60401 8.27212 13.7227 11.6361 12.5761 20.1934 9.95045 numMergedOcc 0
13 mol 232 unq 1 iso 0 dist 9.29752 7.83422 8.80479 9.60401 8.27212 9.05071 11.6361 12.5761 4.95971 9.95045 numMergedOcc 0
14 mol 258 unq 0 iso 0 dist 5.73834 8.63176 5.63675 7.52881 6.42289 11.2102 6.41167 5.13233 9.76914 8.21585 numMergedOcc 0
