0 mol 11 unq 0 iso 0 dist 5.95165 7.95811 9.62262 6.50001 4.10106 6.56765 3.77561 4.61088 10.604 6.54358 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.88413 7.05148 5.30154 8.27137 11.4148 11.0175 5.59268 7.17969 7.92503 4.79873 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.87281 7.05148 5.64303 8.27137 14.1577 11.0175 6.17631 7.31767 8.6653 11.4732 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 7.63928 7.05148 5.82503 8.27137 14.321 11.0175 6.17631 6.03987 8.6653 11.4732 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.7522 8.99751 10.797 9.90986 7.11305 5.29055 15.0931 8.34347 18.8417 14.8317 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 9.7522 9.44507 10.9837 9.90986 7.11305 4.76998 15.0931 8.34347 18.1487 14.8317 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 6.36193 5.84625 9.95364 8.85156 4.23671 10.5604 5.40367 6.62496 8.80614 10.2845 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 4.88613 5.84625 5.49591 8.85156 5.6823 10.5604 5.40367 6.35756 8.80614 10.2845 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 9.65047 9.49995 11.4333 9.70292 14.2178 5.88327 5.33325 7.27724 12.1092 14.1515 numMergedOcc 0
9 mol 95 unq 1 iso 0 dist 9.65047 9.49995 11.4333 9.70292 14.2178 5.88327 5.69671 8.03644 9.49454 8.57395 numMergedOcc 0
10 mol 95 unq 2 iso 0 dist 9.65047 9.49995 11.4333 9.59704 8.78079 3.96826 5.33325 7.27724 12.1092 10.3132 numMergedOcc 0
11 mol 95 unq 3 iso 0 dist 9.65047 9.49995 11.4333 9.59704 8.78079 3.96826 5.69671 8.03644 9.49454 9.85409 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 5.9747 9.25249 14.3413 8.3505 3.9764 17.4008 4.75138 5.08437 13.8815 5.10496 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 5.9747 9.25249 14.3413 8.3505 3.9764 17.4008 10.4417 6.48948 17.8091 5.92242 numMergedOcc 0
14 mol 98 unq 2 iso 0 dist 5.9747 9.25249 14.3413 8.3505 3.9764 17.4008 11.3628 6.10456 19.9118 5.2571 numMergedOcc 0
15 mol 98 unq 3 iso 0 dist 5.9747 9.25249 14.3413 7.34638 7.03983 11.5696 4.75138 5.08437 13.8815 9.89095 numMergedOcc 0
16 mol 98 unq 4 iso 0 dist 5.9747 9.25249 14.3413 7.34638 7.03983 11.5696 10.4417 6.48948 17.8091 7.02507 numMergedOcc 0
17 mol 98 unq 5 iso 0 dist 5.9747 9.25249 14.3413 7.34638 7.03983 11.5696 11.3628 6.10456 19.9118 12.7417 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 6.18763 9.34823 5.13589 9.10803 9.85023 14.1584 5.3154 6.18601 6.73586 13.6983 numMergedOcc 0
19 mol 119 unq 1 iso 0 dist 8.44385 9.34823 10.8661 9.10803 12.4829 14.1584 12.1192 9.87172 11.5311 20.14 numMergedOcc 0
20 mol 119 unq 2 iso 0 dist 5.63005 9.34823 12.0175 9.10803 8.84069 14.1584 10.5268 8.73993 17.8739 16.2889 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 6.752 7.23557 5.8535 6.41148 8.67921 9.86388 4.2475 7.45763 4.8668 6.49765 numMergedOcc 0
22 mol 205 unq 1 iso 0 dist 5.4913 8.86587 5.8535 5.06713 8.67921 9.86388 6.8901 7.45763 4.8668 6.49765 numMergedOcc 0
23 mol 205 unq 2 iso 0 dist 5.4913 8.86587 5.8535 8.69512 12.8695 16.7363 6.8901 7.45763 4.8668 14.2129 numMergedOcc 0
24 mol 222 unq 0 iso 0 dist 7.85877 5.89818 7.75656 8.86886 8.34852 6.67077 4.82768 7.21333 7.67576 12.0171 numMergedOcc 0
25 mol 222 unq 1 iso 0 dist 7.85877 9.32543 16.0949 8.86886 8.34852 16.6736 4.82768 7.21333 9.82371 12.0171 numMergedOcc 0
26 mol 236 unq 0 iso 0 dist 6.11137 8.37813 9.52712 9.94117 10.5937 3.86189 15.1664 9.99038 17.3964 19.0739 numMergedOcc 0
27 mol 236 unq 1 iso 0 dist 6.11137 8.37813 9.52712 9.94117 10.5937 3.86189 9.01197 6.27581 12.6259 15.106 numMergedOcc 0
28 mol 236 unq 2 iso 0 dist 6.11137 9.25988 4.79879 9.94117 10.5937 13.1595 15.1664 9.99038 10.9744 19.0739 numMergedOcc 0
29 mol 236 unq 3 iso 0 dist 6.11137 9.25988 4.79879 9.94117 10.5937 13.1595 9.01197 6.27581 9.73914 15.106 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 9.71801 9.02071 6.20558 7.15079 11.4471 9.78219 5.9882 7.56915 9.85289 11.9912 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 9.30668 6.68863 7.15683 5.72473 7.8414 6.32259 8.04474 8.2734 11.4575 7.20674 numMergedOcc 0
