0 mol 11 unq 0 iso 0 dist 7.95811 6.50001 6.56765 3.77561 10.604 6.54358 5.95165 9.62262 4.10106 4.61088 numMergedOcc 0
1 mol 25 unq 0 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
2 mol 25 unq 1 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
3 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
4 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
5 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
6 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
7 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
8 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
9 mol 98 unq 0 iso 0 dist 9.25249 8.3505 17.4008 4.75138 13.8815 5.10496 5.9747 14.3413 3.9764 5.08437 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 9.25249 8.3505 17.4008 10.4417 17.8091 5.92242 5.9747 14.3413 3.9764 6.48948 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 9.25249 8.3505 17.4008 11.3628 19.9118 5.2571 5.9747 14.3413 3.9764 6.10456 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 9.25249 7.34638 11.5696 10.4417 17.8091 7.02507 5.9747 14.3413 7.03983 6.48948 numMergedOcc 0
13 mol 98 unq 4 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
14 mol 109 unq 0 iso 0 dist 8.48774 6.67635 7.60413 10.0698 13.0672 7.86666 17.0778 18.8282 13.0886 7.34473 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 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
18 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
19 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
20 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
21 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
22 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
23 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
24 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
25 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
26 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
27 mol 292 unq 0 iso 0 dist 6.68863 5.72473 6.32259 8.04474 11.4575 7.20674 9.30668 7.15683 7.8414 8.2734 numMergedOcc 0
