0 mol 55 unq 0 iso 0 dist 9.81486 8.70819 4.85299 7.1654 10.2653 6.63169 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 9.35067 8.49449 7.54681 9.59782 13.2598 6.63169 numMergedOcc 0
2 mol 55 unq 2 iso 0 dist 8.33457 6.45963 10.6445 5.74948 4.01381 6.63169 numMergedOcc 0
3 mol 55 unq 3 iso 0 dist 8.87502 8.70819 10.6445 7.1654 4.01381 6.63169 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 9.36203 6.31934 10.8346 4.73829 11.0031 6.20622 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 7.61029 5.04007 10.5254 5.58724 4.75301 6.70627 numMergedOcc 0
6 mol 68 unq 1 iso 0 dist 7.61029 6.60395 13.1001 5.58724 4.75301 11.4781 numMergedOcc 0
7 mol 116 unq 0 iso 0 dist 8.39198 7.64107 6.51973 9.38436 15.0914 10.8427 numMergedOcc 0
8 mol 116 unq 1 iso 0 dist 8.39198 7.53333 8.4153 9.38436 15.0914 14.0294 numMergedOcc 0
9 mol 116 unq 2 iso 0 dist 6.70803 7.64107 4.97273 9.38436 6.34722 10.8427 numMergedOcc 0
10 mol 116 unq 3 iso 0 dist 6.70803 7.53333 10.8341 9.38436 6.34722 14.0294 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.58058 7.17789 16.0789 5.99965 7.88281 11.7643 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 9.58058 8.9867 12.4293 9.64225 11.8826 5.65729 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 4.42722 5.62758 6.90277 6.24316 8.2608 5.87451 numMergedOcc 0
14 mol 245 unq 0 iso 0 dist 6.78907 5.70624 5.24264 9.14015 9.45389 8.28678 numMergedOcc 0
15 mol 245 unq 1 iso 0 dist 6.78907 6.58523 5.12088 9.14015 9.45389 5.3802 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 8.70984 5.50553 5.41409 6.26195 12.0543 7.47952 numMergedOcc 0
17 mol 285 unq 0 iso 0 dist 9.24084 7.47103 5.29647 7.06369 3.62492 6.63786 numMergedOcc 0
18 mol 285 unq 1 iso 0 dist 7.03138 7.47103 6.56958 7.06369 3.93543 6.63786 numMergedOcc 0
19 mol 294 unq 0 iso 0 dist 6.33388 8.92737 10.2832 9.64823 7.39387 5.52421 numMergedOcc 0
