0 mol 13 unq 0 iso 0 dist 6.80844 5.04036 9.78622 5.07585 6.02651 9.41423 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 6.14602 7.03812 10.3047 4.0144 6.11574 9.16411 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 6.40355 9.28282 8.88275 6.87344 9.225 14.3653 numMergedOcc 0
3 mol 151 unq 0 iso 0 dist 9.39452 7.06678 7.04946 15.0568 7.93343 13.2567 numMergedOcc 0
4 mol 151 unq 1 iso 0 dist 9.39452 7.06678 7.04946 14.3657 5.89468 12.7475 numMergedOcc 0
5 mol 162 unq 0 iso 0 dist 9.32658 8.9822 10.3457 11.9416 7.08934 13.5172 numMergedOcc 0
6 mol 162 unq 1 iso 0 dist 9.32658 8.9822 10.3457 10.5412 8.87346 15.2424 numMergedOcc 0
7 mol 162 unq 2 iso 0 dist 9.32658 8.32464 14.1212 11.9416 7.08934 16.482 numMergedOcc 0
8 mol 162 unq 3 iso 0 dist 9.32658 8.32464 14.1212 10.5412 8.87346 16.8187 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 9.75562 6.69054 5.07688 5.88863 4.59484 5.14185 numMergedOcc 0
10 mol 173 unq 0 iso 0 dist 4.93595 5.36078 5.5911 5.64974 8.44321 10.7351 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 8.43256 8.35581 6.49088 8.07962 8.09309 9.02096 numMergedOcc 0
12 mol 175 unq 1 iso 0 dist 8.14202 6.72569 6.49088 5.22715 8.09309 9.02096 numMergedOcc 0
13 mol 250 unq 0 iso 0 dist 8.63767 9.21681 10.9696 16.6108 8.59384 16.1625 numMergedOcc 0
14 mol 250 unq 1 iso 0 dist 8.66164 9.21681 6.87023 12.4291 9.04888 7.78686 numMergedOcc 0
15 mol 264 unq 0 iso 0 dist 6.43775 8.28871 10.1582 4.39302 7.27155 11.6483 numMergedOcc 0
16 mol 272 unq 0 iso 0 dist 6.38555 8.62966 5.36863 4.35986 5.34803 8.34116 numMergedOcc 0
17 mol 272 unq 1 iso 0 dist 6.38555 8.60979 7.12217 4.35986 5.34803 10.6656 numMergedOcc 0
18 mol 280 unq 0 iso 0 dist 4.26671 7.10354 6.70274 4.65268 6.38295 9.17898 numMergedOcc 0
