0 mol 24 unq 0 iso 0 dist 8.3964 5.65754 9.63925 10.0962 7.85986 8.25818 5.61248 5.80953 7.7447 11.1587 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.3964 5.65754 9.63925 8.56474 4.30252 10.2171 5.61248 5.80953 7.7447 8.72577 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 6.8073 7.49794 13.357 10.7407 8.12997 16.2577 11.3706 16.0533 7.70645 14.9662 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 6.8073 7.49794 13.357 10.8995 6.13153 16.7052 11.3706 16.0533 7.70645 16.5971 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 6.8073 7.49794 13.357 10.5685 5.7836 14.7552 11.3706 16.0533 7.70645 17.4689 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 6.8073 7.49794 13.357 5.44298 7.32996 8.0812 11.3706 16.0533 7.70645 8.95384 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 6.8073 7.49794 13.357 4.92775 5.89173 10.7595 11.3706 16.0533 7.70645 11.3684 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 6.42242 8.26877 13.697 10.3657 7.84895 16.3718 12.0497 16.2743 7.78689 15.1142 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 6.42242 8.26877 13.697 10.4457 5.8541 16.7978 12.0497 16.2743 7.78689 16.6851 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 6.42242 8.26877 13.697 10.1874 5.82264 14.8527 12.0497 16.2743 7.78689 17.678 numMergedOcc 0
10 mol 48 unq 8 iso 0 dist 6.42242 8.26877 13.697 5.39197 7.20729 8.22812 12.0497 16.2743 7.78689 9.26377 numMergedOcc 0
11 mol 48 unq 9 iso 0 dist 6.42242 8.26877 13.697 4.89976 5.72703 11.1156 12.0497 16.2743 7.78689 11.6778 numMergedOcc 0
12 mol 48 unq 10 iso 0 dist 5.60663 7.49794 6.34854 11.8742 8.56365 6.36817 11.3706 12.7381 7.70645 9.7018 numMergedOcc 0
13 mol 48 unq 11 iso 0 dist 5.60663 7.49794 6.34854 5.44298 7.47783 8.0812 11.3706 12.7381 7.70645 8.95384 numMergedOcc 0
14 mol 48 unq 12 iso 0 dist 5.60663 7.49794 6.34854 9.10301 8.74151 4.17933 11.3706 12.7381 7.70645 4.57947 numMergedOcc 0
15 mol 48 unq 13 iso 0 dist 5.60663 7.49794 6.34854 7.24268 8.69662 5.54893 11.3706 12.7381 7.70645 4.60843 numMergedOcc 0
16 mol 79 unq 0 iso 0 dist 6.64915 6.65972 9.87964 8.65653 5.79139 10.5441 11.5374 14.2209 9.04293 10.6375 numMergedOcc 0
17 mol 79 unq 1 iso 0 dist 6.64915 6.65972 9.87964 8.65653 5.79139 10.5441 5.21981 8.50427 4.78333 7.19532 numMergedOcc 0
18 mol 79 unq 2 iso 0 dist 6.64915 4.2253 4.31939 8.65653 5.79139 6.20144 5.21981 8.50427 4.74254 7.19532 numMergedOcc 0
19 mol 85 unq 0 iso 0 dist 9.18097 7.51319 5.22259 6.90443 8.04853 6.67137 8.08787 5.05893 4.29937 3.65186 numMergedOcc 0
20 mol 85 unq 1 iso 0 dist 9.18097 7.51319 5.22259 6.90443 8.04853 6.67137 10.4844 5.71866 3.65628 7.00044 numMergedOcc 0
21 mol 85 unq 2 iso 0 dist 9.18097 7.51319 5.22259 6.90443 8.04853 6.67137 16.4231 11.3323 9.77774 16.1804 numMergedOcc 0
22 mol 85 unq 3 iso 0 dist 9.18097 7.51319 5.22259 13.1381 6.46549 8.49871 8.08787 5.05893 4.29937 5.41777 numMergedOcc 0
23 mol 85 unq 4 iso 0 dist 9.18097 7.51319 5.22259 13.1381 6.46549 8.49871 10.4844 5.71866 3.65628 5.85247 numMergedOcc 0
24 mol 85 unq 5 iso 0 dist 9.18097 7.51319 5.22259 13.1381 6.46549 8.49871 16.4231 11.3323 9.77774 13.9943 numMergedOcc 0
25 mol 85 unq 6 iso 0 dist 9.18097 8.49887 7.66499 6.90443 8.04853 7.04244 8.08787 5.05893 5.37869 3.65186 numMergedOcc 0
26 mol 85 unq 7 iso 0 dist 9.18097 8.49887 7.66499 6.90443 8.04853 7.04244 10.4844 5.71866 4.05415 7.00044 numMergedOcc 0
27 mol 85 unq 8 iso 0 dist 9.18097 8.49887 7.66499 6.90443 8.04853 7.04244 16.4231 11.3323 9.97944 16.1804 numMergedOcc 0
28 mol 85 unq 9 iso 0 dist 9.18097 8.49887 7.66499 13.1381 6.46549 9.59497 8.08787 5.05893 5.37869 5.41777 numMergedOcc 0
29 mol 85 unq 10 iso 0 dist 9.18097 8.49887 7.66499 13.1381 6.46549 9.59497 10.4844 5.71866 4.05415 5.85247 numMergedOcc 0
30 mol 85 unq 11 iso 0 dist 9.18097 8.49887 7.66499 13.1381 6.46549 9.59497 16.4231 11.3323 9.97944 13.9943 numMergedOcc 0
31 mol 85 unq 12 iso 0 dist 8.83135 9.43839 5.22259 14.6513 8.04853 6.67137 11.053 5.05893 4.29937 3.65186 numMergedOcc 0
32 mol 85 unq 13 iso 0 dist 8.83135 9.43839 5.22259 14.6513 8.04853 6.67137 7.97629 5.71866 3.65628 7.00044 numMergedOcc 0
33 mol 85 unq 14 iso 0 dist 8.83135 9.43839 5.22259 14.6513 8.04853 6.67137 5.46713 11.3323 9.77774 16.1804 numMergedOcc 0
34 mol 85 unq 15 iso 0 dist 8.83135 9.43839 5.22259 9.99421 6.46549 8.49871 11.053 5.05893 4.29937 5.41777 numMergedOcc 0
35 mol 85 unq 16 iso 0 dist 8.83135 9.43839 5.22259 9.99421 6.46549 8.49871 7.97629 5.71866 3.65628 5.85247 numMergedOcc 0
36 mol 85 unq 17 iso 0 dist 8.83135 9.43839 5.22259 9.99421 6.46549 8.49871 5.46713 11.3323 9.77774 13.9943 numMergedOcc 0
37 mol 91 unq 0 iso 0 dist 6.93893 8.91998 12.8723 12.7678 9.97813 14.8326 5.09341 8.77355 7.71625 9.60912 numMergedOcc 0
38 mol 93 unq 0 iso 0 dist 7.13064 8.55758 5.64998 9.6722 5.56839 10.8976 5.84807 9.19977 6.67678 13.1331 numMergedOcc 0
39 mol 93 unq 1 iso 0 dist 7.13064 7.44027 4.76749 9.6722 5.56839 10.3155 5.84807 9.19977 7.24956 13.1331 numMergedOcc 0
40 mol 93 unq 2 iso 0 dist 7.8962 8.55758 4.34681 9.6722 7.83506 10.8976 5.84807 7.28831 6.67678 13.1331 numMergedOcc 0
41 mol 93 unq 3 iso 0 dist 7.8962 7.44027 5.73248 9.6722 7.83506 10.3155 5.84807 7.28831 7.24956 13.1331 numMergedOcc 0
42 mol 158 unq 0 iso 0 dist 8.07946 9.27714 11.5349 5.34159 7.20362 13.9538 11.3047 16.4693 6.77583 16.4854 numMergedOcc 0
43 mol 194 unq 0 iso 0 dist 5.4455 7.56217 3.7326 11.7008 8.43182 5.10542 5.39223 4.19371 4.45769 9.23342 numMergedOcc 0
44 mol 194 unq 1 iso 0 dist 5.4455 7.56217 3.7326 11.7008 8.43182 5.10542 7.15294 9.71015 8.99961 11.7699 numMergedOcc 0
45 mol 194 unq 2 iso 0 dist 5.4455 9.81055 7.29209 11.7008 8.43182 4.68722 5.39223 4.19371 5.89939 9.23342 numMergedOcc 0
46 mol 194 unq 3 iso 0 dist 5.4455 9.81055 7.29209 11.7008 8.43182 4.68722 7.15294 9.71015 8.18853 11.7699 numMergedOcc 0
47 mol 254 unq 0 iso 0 dist 7.28781 9.84028 11.9238 11.2466 9.50951 9.20109 8.2786 13.3341 5.6417 10.929 numMergedOcc 0
48 mol 254 unq 1 iso 0 dist 7.28781 9.84028 11.9238 11.2466 9.50951 9.20109 5.20737 11.1806 7.42831 10.706 numMergedOcc 0
49 mol 292 unq 0 iso 0 dist 8.67838 9.29687 4.30125 9.75548 9.373 12.6751 14.3247 8.6233 9.21469 11.0273 numMergedOcc 0
