0 mol 7 unq 0 iso 0 dist 8.02892 5.38502 6.7985 7.39982 9.68596 9.0379 10.7001 6.14349 6.44736 10.7018 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.65191 12.8297 8.70827 7.93303 9.12854 12.3067 18.3913 15.0804 6.73939 18.673 numMergedOcc 0
2 mol 125 unq 0 iso 0 dist 9.2657 9.67381 9.08382 9.19339 9.3778 5.20403 11.5759 4.38093 8.76789 7.73435 numMergedOcc 0
3 mol 125 unq 1 iso 0 dist 9.2657 9.67381 9.08382 6.92879 7.47069 9.34412 11.5759 4.38093 8.76789 11.1764 numMergedOcc 0
4 mol 125 unq 2 iso 0 dist 9.2657 9.19339 9.3778 9.67381 9.08382 5.20403 11.5759 4.38093 7.73435 8.76789 numMergedOcc 0
5 mol 125 unq 3 iso 0 dist 9.2657 9.19339 9.3778 6.92879 7.47069 11.8325 11.5759 4.38093 7.73435 11.1764 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 5.96506 5.96312 7.90048 6.33857 8.78276 10.5137 14.4087 12.2217 9.99802 19.1674 numMergedOcc 0
7 mol 130 unq 1 iso 0 dist 5.96506 5.96312 7.90048 5.72266 7.88805 7.01619 14.4087 12.2217 9.99802 15.7868 numMergedOcc 0
8 mol 130 unq 2 iso 0 dist 5.96506 5.96312 7.90048 5.15286 7.96646 10.7116 14.4087 12.2217 9.99802 17.6058 numMergedOcc 0
9 mol 135 unq 0 iso 0 dist 9.03598 12.3033 7.90563 9.69024 8.97655 6.57193 13.6359 6.35752 5.62052 7.85645 numMergedOcc 0
10 mol 135 unq 1 iso 0 dist 9.03598 9.69024 8.97655 12.3033 7.90563 6.57193 13.6359 6.35752 7.85645 5.62052 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 7.70894 11.8579 9.47433 6.2089 6.30021 5.76755 19.5388 16.7026 9.44367 13.5699 numMergedOcc 0
12 mol 156 unq 1 iso 0 dist 9.6281 5.0966 9.44367 5.75141 7.90267 5.56175 10.9903 16.7026 9.47433 14.7758 numMergedOcc 0
13 mol 156 unq 2 iso 0 dist 6.22667 9.07974 9.44367 5.70205 7.90267 5.56175 18.2332 16.7026 9.47433 14.7758 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 6.66608 5.16386 6.41453 11.067 9.39829 8.85576 10.9743 9.53592 5.9176 10.4943 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 8.61546 14.5234 7.43071 13.552 6.02296 4.39704 16.6827 11.362 5.41321 9.74265 numMergedOcc 0
16 mol 235 unq 0 iso 0 dist 6.86251 5.19684 6.21292 11.9319 6.36341 8.31875 6.20377 10.2834 6.95126 13.9626 numMergedOcc 0
17 mol 235 unq 1 iso 0 dist 6.86251 5.19684 6.21292 7.00293 9.21736 4.53064 6.20377 10.2834 6.95126 10.076 numMergedOcc 0
18 mol 235 unq 2 iso 0 dist 6.20377 5.19684 6.95126 12.3562 9.55668 9.89669 6.86251 10.2834 6.21292 16.0017 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 8.30714 12.3018 9.45514 7.97998 7.46394 10.501 15.8616 10.7637 6.39866 10.672 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 8.30714 12.3018 9.45514 9.61244 8.91672 11.7196 15.8616 10.7637 6.39866 16.422 numMergedOcc 0
21 mol 274 unq 2 iso 0 dist 8.30714 12.3018 9.45514 5.7745 7.1729 6.828 15.8616 10.7637 6.39866 10.6913 numMergedOcc 0
22 mol 274 unq 3 iso 0 dist 9.02661 10.2307 6.39866 17.306 8.52587 11.3308 14.0902 10.7637 9.45514 15.461 numMergedOcc 0
