0 mol 11 unq 0 iso 0 dist 6.89666 4.73237 4.61088 10.6838 6.86684 5.96346 6.09937 7.28643 8.68293 13.5125 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.89666 4.73237 4.61088 10.6838 6.86684 5.96346 9.94905 9.68636 6.84216 6.76736 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.54519 13.2653 5.54419 13.5984 5.59311 8.70827 8.6586 6.7846 8.23075 12.2271 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.54519 13.2653 5.54419 13.5984 5.59311 8.70827 13.2236 8.03955 4.7841 12.6431 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 9.54519 13.2653 5.54419 18.4559 12.176 6.73939 8.6586 6.7846 8.23075 12.2839 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 9.54519 13.2653 5.54419 18.4559 12.176 6.73939 13.2236 8.03955 4.7841 6.22954 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 9.87281 6.17631 7.31767 7.05148 5.64303 8.6653 11.3003 7.23535 7.03372 10.3493 numMergedOcc 0
7 mol 25 unq 1 iso 0 dist 7.63928 6.17631 6.03987 7.05148 5.82503 8.6653 11.3003 9.92243 7.03372 10.3493 numMergedOcc 0
8 mol 75 unq 0 iso 0 dist 6.95595 12.7957 7.79912 18.3917 11.4997 9.81166 11.2061 4.74027 9.16597 7.98253 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 6.31125 5.59449 6.85062 13.6954 14.2045 8.70296 13.8709 11.6692 8.80895 5.92118 numMergedOcc 0
10 mol 131 unq 1 iso 0 dist 6.31125 5.59449 6.85062 10.9811 5.09131 9.25558 13.8709 11.6692 8.80895 10.2176 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 5.96555 10.7091 7.26832 14.6151 10.3603 5.44002 16.1999 13.3822 7.13783 4.76454 numMergedOcc 0
12 mol 205 unq 1 iso 0 dist 6.752 4.2475 7.45763 7.23557 5.8535 4.8668 8.93485 5.42503 9.31158 9.43113 numMergedOcc 0
13 mol 205 unq 2 iso 0 dist 5.4913 6.8901 7.45763 8.86587 5.8535 4.8668 5.66636 5.42503 9.31158 9.43113 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 8.62103 3.84723 6.18308 10.7279 5.87279 7.10826 9.25184 4.29623 6.85824 4.73037 numMergedOcc 0
15 mol 222 unq 0 iso 0 dist 7.85877 4.82768 7.21333 5.89818 7.75656 7.67576 4.90656 8.89157 5.1609 3.98604 numMergedOcc 0
16 mol 222 unq 1 iso 0 dist 7.85877 4.82768 7.21333 9.32543 16.0949 9.82371 4.90656 8.89157 5.1609 7.99695 numMergedOcc 0
17 mol 231 unq 0 iso 0 dist 8.01942 8.55683 8.40182 15.781 12.1512 7.79066 17.3809 17.7601 9.9868 10.5016 numMergedOcc 0
18 mol 231 unq 1 iso 0 dist 8.01942 8.55683 8.40182 15.781 12.1512 7.79066 13.9064 10.3815 7.3268 4.02097 numMergedOcc 0
19 mol 232 unq 0 iso 0 dist 9.29752 9.60401 8.27212 7.83422 8.80479 9.05071 11.6863 4.04428 8.25985 12.159 numMergedOcc 0
20 mol 232 unq 1 iso 0 dist 9.29752 9.60401 8.27212 7.83422 8.80479 9.05071 12.0387 4.22149 9.27788 8.36223 numMergedOcc 0
21 mol 235 unq 0 iso 0 dist 8.48065 5.23741 5.4638 10.8785 7.60081 9.55668 8.1174 4.75609 8.08965 6.82702 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 9.71801 5.9882 7.56915 9.02071 6.20558 9.85289 11.8576 4.24652 9.83622 5.14522 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 9.30668 8.04474 8.2734 13.7647 10.8848 7.07965 11.1568 4.02751 6.69619 8.31265 numMergedOcc 0
24 mol 292 unq 1 iso 0 dist 9.30668 8.04474 8.2734 13.7647 10.8848 7.07965 10.2196 5.99797 4.49592 5.06937 numMergedOcc 0
