0 mol 25 unq 0 iso 0 dist 7.05148 8.27137 11.0175 6.17631 8.6653 11.4732 9.87281 5.64303 14.1577 7.31767 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 7.05148 8.27137 11.0175 6.17631 8.6653 11.4732 7.63928 5.82503 14.321 6.03987 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 7.05148 8.27137 11.0175 5.59268 7.92503 4.79873 10.5993 6.11127 10.2864 7.57578 numMergedOcc 0
3 mol 25 unq 3 iso 0 dist 7.05148 8.27137 11.0175 5.59268 7.92503 4.79873 8.88413 5.30154 11.4148 7.17969 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 5.84625 8.85156 10.5604 5.40367 8.80614 10.2845 9.01612 10.2049 6.57389 6.86465 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 5.84625 8.85156 10.5604 5.40367 8.80614 10.2845 6.36193 9.95364 4.23671 6.62496 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 5.84625 8.85156 10.5604 5.40367 8.80614 10.2845 4.88613 5.49591 5.6823 6.35756 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 9.49995 9.70292 5.88327 5.69671 9.49454 8.57395 12.5791 13.3662 8.28518 9.03572 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 9.49995 9.70292 5.88327 5.69671 9.49454 8.57395 13.9545 12.0666 9.22202 8.83255 numMergedOcc 0
9 mol 95 unq 2 iso 0 dist 9.49995 9.70292 5.88327 5.69671 9.49454 8.57395 9.65047 11.4333 14.2178 8.03644 numMergedOcc 0
10 mol 95 unq 3 iso 0 dist 9.49995 9.59704 3.96826 5.69671 9.49454 9.85409 12.5791 13.3662 15.917 9.03572 numMergedOcc 0
11 mol 95 unq 4 iso 0 dist 9.49995 9.59704 3.96826 5.69671 9.49454 9.85409 13.9545 12.0666 13.7484 8.83255 numMergedOcc 0
12 mol 95 unq 5 iso 0 dist 9.49995 9.59704 3.96826 5.69671 9.49454 9.85409 9.65047 11.4333 8.78079 8.03644 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 5.94696 5.08983 3.92737 12.4265 6.7117 9.81956 12.3884 7.06961 10.4782 5.08437 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 5.94696 5.08983 3.92737 7.1452 4.47349 7.54889 12.3884 7.06961 10.4782 6.10456 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 5.37302 6.12348 3.84573 14.0364 9.66219 8.80934 10.783 8.42718 5.70579 5.86073 numMergedOcc 0
16 mol 113 unq 1 iso 0 dist 8.47541 7.2672 3.84573 12.1308 9.66219 8.80934 11.0486 8.42718 5.70579 5.86073 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 9.34823 9.10803 14.1584 5.3154 6.73586 13.6983 6.18763 5.13589 9.85023 6.18601 numMergedOcc 0
18 mol 167 unq 0 iso 0 dist 9.14629 8.77904 8.91275 7.91498 9.67741 9.2289 16.5098 13.0123 12.0033 9.87651 numMergedOcc 0
19 mol 167 unq 1 iso 0 dist 9.14629 6.48993 5.95858 7.91498 9.67741 7.02548 16.5098 13.0123 11.6011 9.87651 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 7.23557 6.41148 9.86388 4.2475 4.8668 6.49765 13.2057 9.13652 10.6504 9.61492 numMergedOcc 0
21 mol 205 unq 1 iso 0 dist 7.23557 6.41148 9.86388 4.2475 4.8668 6.49765 6.752 5.8535 8.67921 7.45763 numMergedOcc 0
22 mol 205 unq 2 iso 0 dist 8.86587 5.06713 9.86388 6.8901 4.8668 6.49765 13.3164 9.13652 10.6504 9.61492 numMergedOcc 0
23 mol 205 unq 3 iso 0 dist 8.86587 5.06713 9.86388 6.8901 4.8668 6.49765 5.4913 5.8535 8.67921 7.45763 numMergedOcc 0
24 mol 205 unq 4 iso 0 dist 8.86587 8.69512 16.7363 6.8901 4.8668 14.2129 13.3164 9.13652 17.3735 9.61492 numMergedOcc 0
25 mol 205 unq 5 iso 0 dist 8.86587 8.69512 16.7363 6.8901 4.8668 14.2129 5.4913 5.8535 12.8695 7.45763 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 5.89818 8.86886 6.67077 4.82768 7.67576 12.0171 10.8522 10.3151 16.815 8.01589 numMergedOcc 0
27 mol 222 unq 1 iso 0 dist 5.89818 8.86886 6.67077 4.82768 7.67576 12.0171 10.0664 7.81022 11.1369 7.7699 numMergedOcc 0
28 mol 222 unq 2 iso 0 dist 5.89818 8.86886 6.67077 4.82768 7.67576 12.0171 7.85877 7.75656 8.34852 7.21333 numMergedOcc 0
29 mol 222 unq 3 iso 0 dist 9.32543 8.86886 16.6736 4.82768 9.82371 12.0171 10.8522 8.52017 16.815 8.01589 numMergedOcc 0
30 mol 222 unq 4 iso 0 dist 9.32543 8.86886 16.6736 4.82768 9.82371 12.0171 10.0664 15.7504 11.1369 7.7699 numMergedOcc 0
31 mol 222 unq 5 iso 0 dist 9.32543 8.86886 16.6736 4.82768 9.82371 12.0171 7.85877 16.0949 8.34852 7.21333 numMergedOcc 0
32 mol 223 unq 0 iso 0 dist 7.81769 9.6936 3.86668 8.78003 7.48463 9.33543 16.8669 11.8654 13.1538 8.77153 numMergedOcc 0
33 mol 223 unq 1 iso 0 dist 7.81769 9.6936 3.86668 8.78003 7.48463 9.33543 13.1127 6.05524 5.39728 8.6166 numMergedOcc 0
34 mol 223 unq 2 iso 0 dist 7.66694 9.36733 3.86668 5.33327 7.48463 9.33543 13.9834 11.8654 13.1538 8.77153 numMergedOcc 0
35 mol 223 unq 3 iso 0 dist 7.66694 9.36733 3.86668 5.33327 7.48463 9.33543 11.478 6.05524 5.39728 8.6166 numMergedOcc 0
36 mol 274 unq 0 iso 0 dist 9.11072 4.97796 13.3632 9.85454 9.85289 12.8334 12.6706 6.20558 16.9539 7.56915 numMergedOcc 0
37 mol 274 unq 1 iso 0 dist 9.11072 4.97796 13.3632 9.85454 9.85289 12.8334 16.6696 11.4459 19.9648 8.49997 numMergedOcc 0
38 mol 274 unq 2 iso 0 dist 9.02071 7.15079 9.78219 5.9882 9.85289 11.9912 9.71801 6.20558 11.4471 7.56915 numMergedOcc 0
39 mol 274 unq 3 iso 0 dist 9.02071 7.15079 9.78219 5.9882 9.85289 11.9912 13.4994 11.4459 17.1519 8.49997 numMergedOcc 0
