0 mol 24 unq 0 iso 0 dist 8.3964 10.0962 7.85986 7.84552 3.4435 7.18124 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.3964 10.0962 7.85986 17.2313 15.6705 8.10168 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.3964 8.56474 4.30252 7.84552 3.4435 6.47026 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 9.18097 13.1381 6.46549 15.3689 6.64001 8.87977 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 9.18097 13.1381 6.46549 12.0044 4.58085 9.43843 numMergedOcc 0
5 mol 85 unq 2 iso 0 dist 8.83135 9.99421 6.46549 8.96872 6.64001 8.87977 numMergedOcc 0
6 mol 85 unq 3 iso 0 dist 8.83135 9.99421 6.46549 10.1106 4.58085 9.43843 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 7.13064 9.6722 5.56839 8.70907 5.39918 6.9447 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 7.8962 9.6722 7.83506 8.70907 9.73503 6.9447 numMergedOcc 0
9 mol 123 unq 0 iso 0 dist 9.52442 9.9391 9.42762 13.0846 5.25923 8.20345 numMergedOcc 0
10 mol 123 unq 1 iso 0 dist 9.52442 14.0666 7.30244 15.8205 9.04448 8.24171 numMergedOcc 0
11 mol 123 unq 2 iso 0 dist 9.52442 14.0666 7.30244 13.0846 5.25923 5.38148 numMergedOcc 0
12 mol 123 unq 3 iso 0 dist 9.52442 14.0666 7.30244 19.8785 11.8191 6.63094 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 8.71007 9.65579 6.90583 9.37915 6.30849 4.70342 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 8.71007 5.93647 6.75593 9.37915 6.30849 8.23543 numMergedOcc 0
15 mol 147 unq 0 iso 0 dist 9.77522 9.03848 9.59327 13.3337 6.67922 9.28718 numMergedOcc 0
16 mol 158 unq 0 iso 0 dist 8.07946 5.34159 7.20362 9.07685 6.03833 9.56702 numMergedOcc 0
17 mol 162 unq 0 iso 0 dist 9.31025 7.86779 5.67088 7.80955 8.06906 9.67872 numMergedOcc 0
18 mol 162 unq 1 iso 0 dist 9.0087 5.29862 5.67088 13.4949 8.06906 9.67872 numMergedOcc 0
19 mol 184 unq 0 iso 0 dist 4.88303 4.75805 5.12964 5.67457 4.53585 6.03495 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 6.23057 4.51847 6.81516 11.4912 6.29383 9.66947 numMergedOcc 0
21 mol 205 unq 1 iso 0 dist 6.23057 13.1148 9.17562 9.49617 3.5693 8.42716 numMergedOcc 0
22 mol 205 unq 2 iso 0 dist 6.23057 13.1148 9.17562 11.4912 6.29383 5.69652 numMergedOcc 0
23 mol 205 unq 3 iso 0 dist 5.63477 3.50159 5.59832 9.15508 9.6084 8.42716 numMergedOcc 0
24 mol 205 unq 4 iso 0 dist 5.63477 3.50159 5.59832 8.54088 8.16279 5.69652 numMergedOcc 0
25 mol 217 unq 0 iso 0 dist 7.63191 9.311 8.4493 11.0692 9.12199 9.04156 numMergedOcc 0
26 mol 230 unq 0 iso 0 dist 9.07808 9.09648 8.91416 17.6059 13.7681 9.28671 numMergedOcc 0
27 mol 254 unq 0 iso 0 dist 7.28781 11.2466 9.50951 12.7212 12.3017 6.34051 numMergedOcc 0
28 mol 254 unq 1 iso 0 dist 7.00841 11.9928 9.50951 16.1155 12.3017 6.34051 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 8.51736 6.4179 8.31526 7.7033 3.63667 5.3772 numMergedOcc 0
30 mol 258 unq 1 iso 0 dist 8.51736 6.4179 8.31526 14.0432 15.2842 8.70007 numMergedOcc 0
31 mol 258 unq 2 iso 0 dist 8.51736 11.4354 7.08328 7.7033 3.63667 7.59138 numMergedOcc 0
32 mol 268 unq 0 iso 0 dist 7.40731 9.62272 9.6128 13.5526 10.1411 8.00345 numMergedOcc 0
33 mol 278 unq 0 iso 0 dist 9.73172 10.0491 7.1656 10.1037 7.27472 9.68335 numMergedOcc 0
