0 mol 37 unq 0 iso 0 dist 8.28713 6.32052 6.96814 10.3755 15.0075 8.61124 numMergedOcc 0
1 mol 37 unq 1 iso 0 dist 8.28713 6.32052 6.96814 6.11898 11.319 5.1625 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 7.61513 8.51839 3.30756 5.13667 8.21985 9.20861 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 7.52742 6.56288 3.81285 12.0467 7.46478 5.61151 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 7.52742 5.97559 6.17121 12.0467 7.46478 6.54289 numMergedOcc 0
5 mol 85 unq 2 iso 0 dist 7.52742 5.97559 6.17121 11.8012 12.9165 7.52869 numMergedOcc 0
6 mol 85 unq 3 iso 0 dist 7.52742 5.97559 6.17121 12.0763 12.359 9.18945 numMergedOcc 0
7 mol 90 unq 0 iso 0 dist 9.93577 8.17454 10.526 12.4268 16.669 6.18681 numMergedOcc 0
8 mol 90 unq 1 iso 0 dist 7.38568 6.02596 4.66066 8.43244 10.5402 6.18681 numMergedOcc 0
9 mol 90 unq 2 iso 0 dist 8.6767 8.17454 4.66066 12.4268 10.5402 6.18681 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 5.68841 5.53271 5.56913 4.10604 9.02541 7.75479 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 9.1717 5.86693 6.8842 4.41049 6.96294 6.40751 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 8.8319 5.86693 5.05002 4.41049 9.76389 6.40751 numMergedOcc 0
13 mol 151 unq 0 iso 0 dist 8.1034 5.91643 5.81096 4.89642 12.6594 9.92657 numMergedOcc 0
14 mol 176 unq 0 iso 0 dist 8.95504 8.00223 12.7977 9.87769 17.071 9.67312 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 9.06541 8.09863 7.73968 11.0196 13.1614 8.41517 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 9.64578 5.79883 11.457 7.2107 7.34653 6.16848 numMergedOcc 0
17 mol 239 unq 1 iso 0 dist 7.02833 5.79883 6.10489 7.2107 10.0317 6.16848 numMergedOcc 0
18 mol 281 unq 0 iso 0 dist 9.18565 9.05453 3.86368 10.095 10.7812 9.94612 numMergedOcc 0
19 mol 283 unq 0 iso 0 dist 9.74822 7.17276 9.8348 5.78328 14.7073 7.83424 numMergedOcc 0
20 mol 294 unq 0 iso 0 dist 8.63523 8.65363 14.0395 9.56783 15.7407 6.25334 numMergedOcc 0
