0 mol 26 unq 0 iso 0 dist 6.32127 7.53125 9.44507 9.77186 9.5053 14.6525 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 5.80623 5.21735 5.66743 5.45556 7.45532 5.82138 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 5.80623 4.66619 7.42669 5.45556 7.45532 9.93763 numMergedOcc 0
3 mol 27 unq 2 iso 0 dist 7.24775 12.4614 5.66743 14.2929 7.45532 5.82138 numMergedOcc 0
4 mol 27 unq 3 iso 0 dist 7.24775 10.6589 7.42669 14.2929 7.45532 9.93763 numMergedOcc 0
5 mol 44 unq 0 iso 0 dist 9.52676 6.03595 9.45566 9.32021 7.03307 6.36853 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 7.3797 6.55798 7.07989 8.99948 8.91427 5.79348 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 7.3797 6.24521 9.77272 8.99948 8.91427 11.1344 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 6.25276 5.37389 7.75211 6.38454 6.66954 5.25697 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 7.43804 6.39965 5.94696 12.4403 8.43352 11.7159 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 8.22984 14.6602 9.16592 6.16378 9.5669 15.7109 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 6.6157 10.6262 9.16592 5.69359 9.5669 15.7109 numMergedOcc 0
12 mol 100 unq 2 iso 0 dist 7.37771 6.15808 9.16592 10.1726 9.5669 15.7109 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 6.73172 6.50047 5.42828 12.468 9.77017 6.84906 numMergedOcc 0
14 mol 116 unq 0 iso 0 dist 7.85045 12.6384 7.6005 5.83414 8.79367 13.0273 numMergedOcc 0
15 mol 116 unq 1 iso 0 dist 7.85045 14.5749 8.7583 5.83414 8.79367 13.1111 numMergedOcc 0
16 mol 120 unq 0 iso 0 dist 8.41086 11.0066 8.73484 6.69527 6.03352 4.63594 numMergedOcc 0
17 mol 120 unq 1 iso 0 dist 7.41599 8.42157 8.73484 6.25626 6.03352 4.63594 numMergedOcc 0
18 mol 226 unq 0 iso 0 dist 9.20651 16.0868 7.04477 11.576 6.26945 7.77366 numMergedOcc 0
19 mol 253 unq 0 iso 0 dist 7.06589 4.58695 9.69704 5.37783 8.15091 9.82329 numMergedOcc 0
20 mol 253 unq 1 iso 0 dist 8.70383 11.088 9.69704 14.5125 8.15091 9.82329 numMergedOcc 0
21 mol 256 unq 0 iso 0 dist 8.95444 5.89194 5.66817 7.41011 8.89892 8.84384 numMergedOcc 0
22 mol 256 unq 1 iso 0 dist 7.53508 11.8934 5.66817 11.8833 8.89892 8.84384 numMergedOcc 0
