0 mol 19 unq 0 iso 0 dist 8.33492 8.75001 14.2304 9.01721 8.18518 17.1733 14.9301 14.1404 20.934 8.4674 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.33492 8.75001 14.2304 9.01721 8.18518 17.1733 10.1953 6.57145 16.91 4.54938 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 8.33492 8.75001 14.2304 9.01721 8.18518 17.1733 7.84393 6.01189 12.48 7.82074 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.58581 5.85737 5.75364 6.88453 6.85331 8.0319 13.0211 9.20254 11.4109 6.86014 numMergedOcc 0
4 mol 66 unq 0 iso 0 dist 9.03383 8.68658 14.4123 10.8925 8.31793 19.1688 14.5356 5.95767 20.1835 8.96624 numMergedOcc 0
5 mol 132 unq 0 iso 0 dist 7.73306 9.39389 8.41467 11.6877 6.495 12.625 17.544 10.0823 15.8239 7.7059 numMergedOcc 0
6 mol 143 unq 0 iso 0 dist 5.9183 6.87456 7.75087 6.3915 7.5984 12.5106 5.30872 5.11989 8.03483 5.99315 numMergedOcc 0
7 mol 143 unq 1 iso 0 dist 5.9183 5.40826 6.57809 5.11989 5.30872 9.35213 7.5984 6.3915 9.02772 5.99315 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 9.30469 7.30813 4.40729 12.0877 6.73365 8.84385 9.09725 5.73338 4.51101 5.6234 numMergedOcc 0
9 mol 175 unq 1 iso 0 dist 9.30469 7.30813 4.40729 12.0877 6.73365 8.84385 15.2411 12.753 11.1501 9.92231 numMergedOcc 0
10 mol 175 unq 2 iso 0 dist 9.30469 7.30813 4.40729 9.79219 9.45659 9.81041 9.09725 5.73338 4.51101 6.57069 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 7.29651 9.2254 9.89537 12.5982 7.45401 14.3228 10.0005 6.8549 7.28428 7.54065 numMergedOcc 0
12 mol 224 unq 0 iso 0 dist 9.31156 6.23677 6.16829 6.87755 4.79841 7.49783 12.2287 11.4653 12.8561 8.95269 numMergedOcc 0
13 mol 229 unq 0 iso 0 dist 5.22312 7.39596 5.39195 6.44004 8.0007 9.49008 9.87839 5.29674 5.78907 9.87838 numMergedOcc 0
14 mol 280 unq 0 iso 0 dist 6.88553 4.45141 4.68825 6.07005 9.26066 5.41639 10.6192 12.5899 8.26589 6.53701 numMergedOcc 0
