0 mol 14 unq 0 iso 0 dist 9.42387 7.59564 8.47263 5.91419 9.82883 12.1635 6.24146 13.9071 7.73217 11.3111 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 9.42387 8.10957 11.5533 5.91419 9.82883 11.6604 4.81121 13.681 8.82819 7.12085 numMergedOcc 0
2 mol 14 unq 2 iso 0 dist 9.42387 8.10957 11.5533 5.91419 9.82883 11.6604 7.95811 14.8819 5.36937 10.9516 numMergedOcc 0
3 mol 14 unq 3 iso 0 dist 9.42387 8.10957 11.5533 5.91419 9.82883 11.6604 6.24146 13.9071 5.99703 11.3111 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 8.04019 7.44828 14.7604 6.90464 8.0346 13.7522 5.7655 11.7246 9.79966 5.65876 numMergedOcc 0
5 mol 33 unq 1 iso 0 dist 8.04019 7.44828 14.7604 6.90464 8.0346 13.7522 5.62472 12.0359 5.52992 10.2372 numMergedOcc 0
6 mol 55 unq 0 iso 0 dist 9.24055 5.24742 5.25318 12.3514 9.34552 12.2917 7.38126 8.02261 6.7877 11.7927 numMergedOcc 0
7 mol 55 unq 1 iso 0 dist 9.66898 9.29433 5.25318 7.15478 9.34552 12.2917 10.7639 8.02261 6.7877 11.7927 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 9.75299 8.52643 4.78627 7.59945 7.66372 5.45684 15.4665 12.8796 8.75668 11.6779 numMergedOcc 0
9 mol 64 unq 1 iso 0 dist 9.75299 8.52643 4.78627 7.59945 7.66372 5.45684 9.48441 13.3367 9.64871 12.0048 numMergedOcc 0
10 mol 64 unq 2 iso 0 dist 9.75299 8.52643 4.78627 7.59945 7.66372 5.45684 4.76091 12.2237 9.95118 10.7116 numMergedOcc 0
11 mol 64 unq 3 iso 0 dist 9.75299 8.52643 4.78627 13.3239 9.99743 7.76644 15.4665 12.8796 8.75668 10.1207 numMergedOcc 0
12 mol 64 unq 4 iso 0 dist 9.75299 8.52643 4.78627 13.3239 9.99743 7.76644 9.48441 13.3367 9.64871 15.2828 numMergedOcc 0
13 mol 64 unq 5 iso 0 dist 9.75299 8.52643 4.78627 13.3239 9.99743 7.76644 4.76091 12.2237 9.95118 15.7534 numMergedOcc 0
14 mol 64 unq 6 iso 0 dist 9.30042 5.41357 4.78627 5.65551 7.66372 5.45684 9.95527 12.8796 8.75668 11.6779 numMergedOcc 0
15 mol 64 unq 7 iso 0 dist 9.30042 5.41357 4.78627 5.65551 7.66372 5.45684 6.41829 13.3367 9.64871 12.0048 numMergedOcc 0
16 mol 64 unq 8 iso 0 dist 9.30042 5.41357 4.78627 5.65551 7.66372 5.45684 6.13923 12.2237 9.95118 10.7116 numMergedOcc 0
17 mol 64 unq 9 iso 0 dist 9.30042 5.41357 4.78627 9.81422 9.99743 7.76644 9.95527 12.8796 8.75668 10.1207 numMergedOcc 0
18 mol 64 unq 10 iso 0 dist 9.30042 5.41357 4.78627 9.81422 9.99743 7.76644 6.41829 13.3367 9.64871 15.2828 numMergedOcc 0
19 mol 64 unq 11 iso 0 dist 9.30042 5.41357 4.78627 9.81422 9.99743 7.76644 6.13923 12.2237 9.95118 15.7534 numMergedOcc 0
20 mol 73 unq 0 iso 0 dist 7.48556 9.47045 8.96403 15.0455 8.08507 14.4663 10.5755 15.3439 9.04731 22.4042 numMergedOcc 0
21 mol 73 unq 1 iso 0 dist 7.48556 9.47045 8.96403 15.0455 8.08507 14.4663 9.80866 10.1769 9.85884 13.0801 numMergedOcc 0
22 mol 75 unq 0 iso 0 dist 4.76466 8.25597 4.41154 7.91223 7.93145 12.0932 5.56574 6.96759 9.20448 9.14798 numMergedOcc 0
23 mol 75 unq 1 iso 0 dist 4.76466 8.67172 5.23438 7.91223 7.93145 10.3439 5.56574 6.96759 6.97318 9.14798 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 8.6368 5.25149 11.0459 7.36665 9.984 12.5698 6.19375 14.3841 5.39218 12.2122 numMergedOcc 0
25 mol 220 unq 1 iso 0 dist 8.6368 5.25149 11.0459 8.17619 8.08702 9.57625 6.19375 14.3841 5.39218 13.0808 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 7.96226 7.31608 5.19836 3.92881 7.35677 8.96263 11.0252 10.6915 7.49783 11.9904 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 8.86185 9.01071 15.9311 10.1043 7.80073 18.9779 8.70119 14.9529 6.29774 18.1587 numMergedOcc 0
28 mol 239 unq 1 iso 0 dist 8.86185 9.01071 15.9311 10.1043 7.80073 18.9779 10.1972 18.3241 9.28258 18.7738 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 7.25618 8.10903 5.31174 5.79358 9.65711 8.73425 9.78068 10.0455 9.04358 5.13233 numMergedOcc 0
