0 mol 7 unq 0 iso 0 dist 6.66645 9.60361 8.0744 12.1978 5.72491 9.67164 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.66645 9.60361 8.0744 4.78012 7.88043 5.99459 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 5.22017 9.60361 11.7002 12.1978 9.67579 9.67164 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 5.22017 9.60361 11.7002 4.78012 8.80762 5.99459 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 6.98291 6.04822 7.41888 6.32132 6.6492 7.52933 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 6.98291 7.72717 4.38027 6.32132 6.6492 8.23761 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 9.32113 7.54282 9.45442 7.72477 11.8778 9.12845 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 9.32155 5.19462 4.69849 7.23774 8.44903 6.66407 numMergedOcc 0
8 mol 60 unq 0 iso 0 dist 8.04921 8.93538 5.71764 11.9377 10.0962 7.57295 numMergedOcc 0
9 mol 60 unq 1 iso 0 dist 8.04921 8.93538 5.71764 8.71681 7.55695 8.4312 numMergedOcc 0
10 mol 60 unq 2 iso 0 dist 8.04921 8.93538 5.71764 6.05904 8.82176 7.48086 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 9.67948 9.74956 10.4065 9.72682 15.875 7.7988 numMergedOcc 0
12 mol 112 unq 1 iso 0 dist 9.67948 9.74956 10.4065 14.4313 19.2261 9.40824 numMergedOcc 0
13 mol 112 unq 2 iso 0 dist 9.67948 9.74956 10.4065 11.8409 13.5615 4.22363 numMergedOcc 0
14 mol 112 unq 3 iso 0 dist 6.55773 6.93938 10.4065 11.3081 15.875 7.7988 numMergedOcc 0
15 mol 112 unq 4 iso 0 dist 6.55773 6.93938 10.4065 14.7352 19.2261 9.40824 numMergedOcc 0
16 mol 112 unq 5 iso 0 dist 6.55773 6.93938 10.4065 10.7105 13.5615 4.22363 numMergedOcc 0
17 mol 167 unq 0 iso 0 dist 8.28222 5.57495 8.12678 5.89138 12.625 7.20495 numMergedOcc 0
18 mol 167 unq 1 iso 0 dist 8.28222 9.38297 14.8789 10.292 17.0906 6.84752 numMergedOcc 0
19 mol 167 unq 2 iso 0 dist 8.28222 9.38297 14.8789 14.6636 21.7744 7.86563 numMergedOcc 0
20 mol 167 unq 3 iso 0 dist 8.28222 9.38297 14.8789 5.89138 12.625 7.02548 numMergedOcc 0
21 mol 178 unq 0 iso 0 dist 7.25142 8.62441 5.88506 9.73148 11.7786 9.11204 numMergedOcc 0
22 mol 198 unq 0 iso 0 dist 7.75942 9.42723 10.6621 15.4671 18.1546 9.31526 numMergedOcc 0
23 mol 198 unq 1 iso 0 dist 8.97397 9.42723 6.02407 15.4671 14.7739 9.31526 numMergedOcc 0
24 mol 198 unq 2 iso 0 dist 9.63583 7.70823 6.02407 15.0288 14.7739 9.31526 numMergedOcc 0
25 mol 255 unq 0 iso 0 dist 4.66522 8.08403 5.45387 12.7494 9.03186 6.87333 numMergedOcc 0
26 mol 255 unq 1 iso 0 dist 4.66522 8.08403 5.45387 12.5717 11.5481 9.86207 numMergedOcc 0
