0 mol 62 unq 0 iso 0 dist 6.49446 5.48283 5.56988 9.91572 8.58588 13.0724 numMergedOcc 0
1 mol 62 unq 1 iso 0 dist 6.49446 8.18866 3.71033 9.91572 8.58588 12.2706 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 7.18358 7.56 3.80156 5.81115 6.96066 6.63733 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 8.91055 7.15918 5.82228 6.81831 9.56911 11.5825 numMergedOcc 0
4 mol 141 unq 0 iso 0 dist 7.80661 6.31404 10.7383 10.898 8.03015 11.1153 numMergedOcc 0
5 mol 168 unq 0 iso 0 dist 8.80094 8.96534 3.90323 11.4575 8.35869 10.5395 numMergedOcc 0
6 mol 168 unq 1 iso 0 dist 8.80094 8.65328 6.97182 11.4575 8.35869 14.5599 numMergedOcc 0
7 mol 168 unq 2 iso 0 dist 8.80094 5.69346 13.358 11.4575 8.35869 15.793 numMergedOcc 0
8 mol 168 unq 3 iso 0 dist 8.07126 9.02836 3.90323 7.61088 8.35869 10.5395 numMergedOcc 0
9 mol 168 unq 4 iso 0 dist 8.07126 8.55388 13.358 7.61088 8.35869 15.793 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 5.39622 5.09756 3.6848 3.77738 8.52322 7.12029 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 5.39622 7.44523 5.33968 3.77738 8.52322 8.56602 numMergedOcc 0
12 mol 192 unq 0 iso 0 dist 7.83389 7.1329 3.81315 5.56525 9.9224 9.62225 numMergedOcc 0
13 mol 229 unq 0 iso 0 dist 8.17234 9.69367 3.72432 15.8841 9.33775 11.2132 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 8.15743 7.13253 6.54593 6.92292 8.21479 11.8835 numMergedOcc 0
15 mol 260 unq 0 iso 0 dist 4.76689 6.54521 6.73886 5.42082 6.23198 10.9549 numMergedOcc 0
16 mol 260 unq 1 iso 0 dist 7.26455 6.54521 5.38205 5.42082 8.82216 10.9549 numMergedOcc 0
17 mol 260 unq 2 iso 0 dist 8.79012 7.97307 9.0549 12.4464 6.23198 10.8312 numMergedOcc 0
18 mol 260 unq 3 iso 0 dist 8.79012 8.52702 17.1277 12.4464 6.23198 19.4621 numMergedOcc 0
19 mol 279 unq 0 iso 0 dist 8.40448 8.93379 6.77003 12.5049 7.67032 14.4115 numMergedOcc 0
