0 mol 24 unq 0 iso 0 dist 6.60423 8.66248 9.41655 6.86014 6.00575 7.49157 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.60423 6.73521 6.803 6.86014 6.00575 7.73794 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 7.83786 10.0118 9.41655 11.573 6.00575 7.49157 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 7.83786 6.07594 6.803 11.573 6.00575 7.73794 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.44903 9.80379 9.82307 10.5523 7.05402 7.39848 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 8.00777 5.76272 5.72961 7.95579 5.08358 8.04242 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 7.1589 8.18948 5.72961 6.19965 5.08358 8.04242 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 6.78038 6.35793 9.34689 11.5121 10.0814 6.87434 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 6.47042 4.69658 9.34689 7.71338 10.0814 6.87434 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 7.99857 10.4816 7.62197 14.5183 9.3046 4.80684 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 7.99857 10.4816 7.62197 16.5596 15.2217 7.60162 numMergedOcc 0
11 mol 119 unq 2 iso 0 dist 8.56342 13.2169 7.62197 16.7981 9.3046 4.80684 numMergedOcc 0
12 mol 119 unq 3 iso 0 dist 8.56342 13.2169 7.62197 19.8284 15.2217 7.60162 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 8.41611 6.75249 7.22 5.99315 12.7056 8.64905 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 9.77552 10.6994 7.34557 10.399 5.70788 6.79114 numMergedOcc 0
15 mol 152 unq 1 iso 0 dist 8.28642 4.68615 7.34557 5.87555 5.70788 6.79114 numMergedOcc 0
16 mol 152 unq 2 iso 0 dist 8.35555 9.75376 9.48674 10.399 7.2238 7.55934 numMergedOcc 0
17 mol 175 unq 0 iso 0 dist 8.0154 13.8965 7.6741 9.29945 4.24624 9.19156 numMergedOcc 0
18 mol 184 unq 0 iso 0 dist 8.77887 8.36988 9.12454 15.173 8.41716 9.84566 numMergedOcc 0
19 mol 188 unq 0 iso 0 dist 8.57261 8.02684 6.18257 13.353 5.48276 7.86092 numMergedOcc 0
20 mol 198 unq 0 iso 0 dist 9.18635 9.65062 5.20846 12.0399 6.74772 9.76973 numMergedOcc 0
21 mol 198 unq 1 iso 0 dist 8.10985 4.27652 5.20846 13.7844 6.74772 9.76973 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 8.0751 6.24608 5.4621 11.7007 5.282 6.1896 numMergedOcc 0
23 mol 218 unq 1 iso 0 dist 8.0751 12.235 8.91819 11.7007 5.282 6.09255 numMergedOcc 0
24 mol 218 unq 2 iso 0 dist 6.29367 10.1632 8.98941 10.3145 5.7776 6.1896 numMergedOcc 0
25 mol 218 unq 3 iso 0 dist 6.29367 6.67144 6.45381 10.3145 5.7776 6.09255 numMergedOcc 0
26 mol 218 unq 4 iso 0 dist 5.76954 13.1733 8.98941 10.9501 5.7776 6.1896 numMergedOcc 0
27 mol 218 unq 5 iso 0 dist 5.76954 8.38909 6.45381 10.9501 5.7776 6.09255 numMergedOcc 0
28 mol 218 unq 6 iso 0 dist 9.20961 15.3828 8.98941 14.7187 5.7776 6.1896 numMergedOcc 0
29 mol 218 unq 7 iso 0 dist 9.20961 12.4463 6.45381 14.7187 5.7776 6.09255 numMergedOcc 0
30 mol 252 unq 0 iso 0 dist 6.86945 9.93981 8.38453 12.6348 8.24423 8.55044 numMergedOcc 0
31 mol 253 unq 0 iso 0 dist 7.77998 14.6881 9.86765 12.1494 6.70471 7.14243 numMergedOcc 0
32 mol 253 unq 1 iso 0 dist 7.77998 14.6881 9.86765 13.3527 5.70882 9.60694 numMergedOcc 0
33 mol 253 unq 2 iso 0 dist 7.77998 9.46115 6.3738 12.1494 6.70471 5.77511 numMergedOcc 0
34 mol 253 unq 3 iso 0 dist 7.77998 9.46115 6.3738 13.3527 5.70882 9.27311 numMergedOcc 0
35 mol 277 unq 0 iso 0 dist 6.57903 14.3711 8.78893 14.715 8.24238 5.72327 numMergedOcc 0
36 mol 277 unq 1 iso 0 dist 6.57903 14.3711 8.78893 18.9397 12.5663 5.81301 numMergedOcc 0
37 mol 277 unq 2 iso 0 dist 6.57903 14.3711 8.78893 20.0719 13.5192 9.81201 numMergedOcc 0
38 mol 277 unq 3 iso 0 dist 9.65707 13.63 8.78893 16.3208 8.24238 5.72327 numMergedOcc 0
39 mol 277 unq 4 iso 0 dist 9.65707 13.63 8.78893 19.2442 12.5663 5.81301 numMergedOcc 0
40 mol 277 unq 5 iso 0 dist 9.65707 13.63 8.78893 21.8898 13.5192 9.81201 numMergedOcc 0
41 mol 277 unq 6 iso 0 dist 9.3936 10.724 4.61089 14.0223 4.67953 5.72327 numMergedOcc 0
42 mol 277 unq 7 iso 0 dist 9.3936 10.724 4.61089 16.1696 8.29849 5.81301 numMergedOcc 0
43 mol 277 unq 8 iso 0 dist 9.3936 10.724 4.61089 19.9121 10.8993 9.81201 numMergedOcc 0
