0 mol 24 unq 0 iso 0 dist 8.3964 5.65754 9.63925 10.0962 7.85986 8.25818 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.3964 5.65754 9.63925 8.56474 4.30252 10.2171 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 6.8073 7.49794 13.357 10.7407 8.12997 16.2577 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 6.8073 7.49794 13.357 10.8995 6.13153 16.7052 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 6.8073 7.49794 13.357 10.5685 5.7836 14.7552 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 6.8073 7.49794 13.357 5.44298 7.32996 8.0812 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 6.8073 7.49794 13.357 4.92775 5.89173 10.7595 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 6.42242 5.43913 10.8889 10.3657 7.84895 15.6593 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 6.42242 5.43913 10.8889 10.4457 5.8541 15.5128 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 6.42242 5.43913 10.8889 10.1874 5.82264 12.867 numMergedOcc 0
10 mol 48 unq 8 iso 0 dist 6.42242 5.43913 10.8889 5.39197 7.20729 8.65524 numMergedOcc 0
11 mol 48 unq 9 iso 0 dist 6.42242 5.43913 10.8889 4.89976 5.72703 10.0937 numMergedOcc 0
12 mol 48 unq 10 iso 0 dist 6.42242 8.26877 13.697 10.3657 7.84895 16.3718 numMergedOcc 0
13 mol 48 unq 11 iso 0 dist 6.42242 8.26877 13.697 10.4457 5.8541 16.7978 numMergedOcc 0
14 mol 48 unq 12 iso 0 dist 6.42242 8.26877 13.697 10.1874 5.82264 14.8527 numMergedOcc 0
15 mol 48 unq 13 iso 0 dist 6.42242 8.26877 13.697 5.39197 7.20729 8.22812 numMergedOcc 0
16 mol 48 unq 14 iso 0 dist 6.42242 8.26877 13.697 4.89976 5.72703 11.1156 numMergedOcc 0
17 mol 48 unq 15 iso 0 dist 5.60663 7.49794 6.34854 11.8742 8.56365 6.36817 numMergedOcc 0
18 mol 48 unq 16 iso 0 dist 5.60663 7.49794 6.34854 5.44298 7.47783 8.0812 numMergedOcc 0
19 mol 48 unq 17 iso 0 dist 5.60663 7.49794 6.34854 9.10301 8.74151 4.17933 numMergedOcc 0
20 mol 48 unq 18 iso 0 dist 5.60663 7.49794 6.34854 7.24268 8.69662 5.54893 numMergedOcc 0
21 mol 79 unq 0 iso 0 dist 9.22889 7.75543 6.0298 4.08459 5.79139 4.808 numMergedOcc 0
22 mol 79 unq 1 iso 0 dist 6.64915 6.65972 9.87964 8.65653 5.79139 10.5441 numMergedOcc 0
23 mol 79 unq 2 iso 0 dist 6.64915 4.2253 4.31939 8.65653 5.79139 6.20144 numMergedOcc 0
24 mol 85 unq 0 iso 0 dist 9.18097 7.51319 5.22259 6.90443 8.04853 6.67137 numMergedOcc 0
25 mol 85 unq 1 iso 0 dist 9.18097 7.51319 5.22259 13.1381 6.46549 8.49871 numMergedOcc 0
26 mol 85 unq 2 iso 0 dist 9.18097 8.49887 7.66499 6.90443 8.04853 7.04244 numMergedOcc 0
27 mol 85 unq 3 iso 0 dist 9.18097 8.49887 7.66499 13.1381 6.46549 9.59497 numMergedOcc 0
28 mol 85 unq 4 iso 0 dist 8.83135 9.43839 5.22259 14.6513 8.04853 6.67137 numMergedOcc 0
29 mol 85 unq 5 iso 0 dist 8.83135 9.43839 5.22259 9.99421 6.46549 8.49871 numMergedOcc 0
30 mol 91 unq 0 iso 0 dist 6.93893 8.91998 12.8723 12.7678 9.97813 14.8326 numMergedOcc 0
31 mol 92 unq 0 iso 0 dist 5.74593 4.91714 3.98877 3.63696 8.4219 8.10623 numMergedOcc 0
32 mol 92 unq 1 iso 0 dist 6.6186 8.01266 4.15826 4.65353 9.22418 8.55237 numMergedOcc 0
33 mol 93 unq 0 iso 0 dist 7.13064 8.55758 5.64998 9.6722 5.56839 10.8976 numMergedOcc 0
34 mol 93 unq 1 iso 0 dist 7.13064 7.44027 4.76749 9.6722 5.56839 10.3155 numMergedOcc 0
35 mol 93 unq 2 iso 0 dist 7.8962 8.55758 4.34681 9.6722 7.83506 10.8976 numMergedOcc 0
36 mol 93 unq 3 iso 0 dist 7.8962 7.44027 5.73248 9.6722 7.83506 10.3155 numMergedOcc 0
37 mol 98 unq 0 iso 0 dist 7.48563 9.45257 3.61204 7.22521 7.55367 6.5816 numMergedOcc 0
38 mol 158 unq 0 iso 0 dist 8.07946 9.27714 11.5349 5.34159 7.20362 13.9538 numMergedOcc 0
39 mol 162 unq 0 iso 0 dist 9.31025 9.88912 6.17752 7.86779 5.67088 10.7246 numMergedOcc 0
40 mol 162 unq 1 iso 0 dist 9.31025 9.46218 15.8538 7.86779 5.67088 16.8281 numMergedOcc 0
41 mol 184 unq 0 iso 0 dist 4.88303 8.5544 8.00739 7.551 9.62748 15.8922 numMergedOcc 0
42 mol 184 unq 1 iso 0 dist 4.88303 8.5544 8.00739 4.75805 5.12964 10.7976 numMergedOcc 0
43 mol 194 unq 0 iso 0 dist 5.4455 7.56217 3.7326 11.7008 8.43182 5.10542 numMergedOcc 0
44 mol 194 unq 1 iso 0 dist 5.4455 9.81055 7.29209 11.7008 8.43182 4.68722 numMergedOcc 0
45 mol 198 unq 0 iso 0 dist 8.28295 7.94413 4.73496 7.8747 8.78623 10.6266 numMergedOcc 0
46 mol 244 unq 0 iso 0 dist 9.97458 9.3491 11.7712 4.80974 9.30179 13.1336 numMergedOcc 0
47 mol 244 unq 1 iso 0 dist 9.97458 9.3491 11.7712 13.59 6.10489 14.895 numMergedOcc 0
48 mol 244 unq 2 iso 0 dist 9.97458 9.3491 11.7712 12.146 4.4204 15.907 numMergedOcc 0
49 mol 253 unq 0 iso 0 dist 9.29788 6.93942 5.68255 12.9301 9.82605 10.2265 numMergedOcc 0
50 mol 253 unq 1 iso 0 dist 9.29788 6.93942 5.68255 8.8893 9.73723 8.66299 numMergedOcc 0
51 mol 253 unq 2 iso 0 dist 9.29788 9.05161 5.57952 12.9301 9.82605 12.3129 numMergedOcc 0
52 mol 253 unq 3 iso 0 dist 9.29788 9.05161 5.57952 8.8893 9.73723 11.5048 numMergedOcc 0
53 mol 253 unq 4 iso 0 dist 9.50983 9.31626 5.68255 16.4827 9.82605 10.2265 numMergedOcc 0
54 mol 253 unq 5 iso 0 dist 9.50983 9.31626 5.68255 13.3075 9.73723 8.66299 numMergedOcc 0
55 mol 253 unq 6 iso 0 dist 9.50983 9.77366 5.57952 16.4827 9.82605 12.3129 numMergedOcc 0
56 mol 253 unq 7 iso 0 dist 9.50983 9.77366 5.57952 13.3075 9.73723 11.5048 numMergedOcc 0
57 mol 254 unq 0 iso 0 dist 7.28781 9.84028 11.9238 11.2466 9.50951 9.20109 numMergedOcc 0
58 mol 254 unq 1 iso 0 dist 7.00841 5.83039 4.4384 11.9928 9.50951 10.1092 numMergedOcc 0
59 mol 254 unq 2 iso 0 dist 7.00841 6.74364 6.09569 11.9928 9.50951 12.7371 numMergedOcc 0
60 mol 256 unq 0 iso 0 dist 9.65136 6.33954 5.59732 6.51471 4.36333 5.58222 numMergedOcc 0
61 mol 266 unq 0 iso 0 dist 6.77259 7.36137 4.60397 12.1427 7.63543 12.0398 numMergedOcc 0
62 mol 266 unq 1 iso 0 dist 6.77259 4.95415 5.26919 12.1427 7.63543 12.3639 numMergedOcc 0
63 mol 292 unq 0 iso 0 dist 8.67838 9.29687 4.30125 9.75548 9.373 12.6751 numMergedOcc 0
64 mol 294 unq 0 iso 0 dist 7.14502 9.49562 8.15681 12.8415 9.01437 12.639 numMergedOcc 0
