0 mol 10 unq 0 iso 0 dist 5.66059 6.77258 5.59965 15.7065 12.4032 9.39017 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 5.99743 5.16967 5.59965 13.4813 11.04 9.88507 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 9.44587 7.00815 8.47217 10.878 13.1322 9.52857 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 6.19304 6.44044 8.5315 9.46895 12.7517 8.07997 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 9.09041 12.4018 8.03296 12.5272 4.39227 5.72627 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 9.09041 5.71329 5.82754 12.5272 4.39227 7.68741 numMergedOcc 0
6 mol 79 unq 2 iso 0 dist 9.09041 10.427 8.87742 12.5272 4.39227 9.76351 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 6.04768 4.81103 7.14031 7.88143 12.9271 7.67564 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 6.04768 4.81103 7.14031 6.62952 12.2431 8.60103 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 9.40173 7.22196 7.14031 10.5625 12.9271 7.67564 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 9.40173 7.22196 7.14031 4.3521 12.2431 8.60103 numMergedOcc 0
11 mol 125 unq 0 iso 0 dist 8.2793 6.27138 6.11502 7.43803 6.67445 9.94322 numMergedOcc 0
12 mol 125 unq 1 iso 0 dist 8.2793 6.27138 6.11502 12.2446 8.12341 8.35871 numMergedOcc 0
13 mol 125 unq 2 iso 0 dist 8.2793 5.61158 6.33431 8.44933 6.58625 8.74577 numMergedOcc 0
14 mol 125 unq 3 iso 0 dist 8.2793 5.61158 6.33431 7.43803 6.67445 9.7728 numMergedOcc 0
15 mol 125 unq 4 iso 0 dist 8.2793 5.61158 6.33431 12.2446 8.12341 6.75122 numMergedOcc 0
16 mol 156 unq 0 iso 0 dist 8.32841 5.309 8.21184 5.50879 5.6621 8.75305 numMergedOcc 0
17 mol 156 unq 1 iso 0 dist 8.32841 6.07262 5.9976 5.50879 5.6621 5.13522 numMergedOcc 0
18 mol 156 unq 2 iso 0 dist 6.00295 5.309 5.41575 5.50879 6.65278 8.75305 numMergedOcc 0
19 mol 156 unq 3 iso 0 dist 6.00295 6.07262 6.86566 5.50879 6.65278 5.13522 numMergedOcc 0
20 mol 156 unq 4 iso 0 dist 6.56065 11.9245 8.21184 6.69157 5.6621 8.75305 numMergedOcc 0
21 mol 156 unq 5 iso 0 dist 6.56065 6.25291 5.9976 6.69157 5.6621 5.13522 numMergedOcc 0
22 mol 162 unq 0 iso 0 dist 9.87543 8.33986 9.7361 6.3981 6.27876 5.99212 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 8.09667 5.96605 6.21159 7.6409 4.93748 8.53237 numMergedOcc 0
24 mol 186 unq 1 iso 0 dist 8.09667 5.96605 6.21159 9.4003 4.78938 4.65126 numMergedOcc 0
25 mol 192 unq 0 iso 0 dist 9.70629 14.1553 8.26288 18.5337 14.4054 8.14859 numMergedOcc 0
26 mol 226 unq 0 iso 0 dist 6.82883 4.97624 5.70795 8.24741 4.66376 6.45143 numMergedOcc 0
27 mol 226 unq 1 iso 0 dist 8.22518 5.55393 5.70795 5.07958 4.66376 6.45143 numMergedOcc 0
28 mol 226 unq 2 iso 0 dist 6.02803 9.35407 5.70795 6.19519 4.66376 6.45143 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 8.52162 6.32646 5.92374 5.77828 4.04422 6.80544 numMergedOcc 0
30 mol 250 unq 0 iso 0 dist 9.71793 11.464 9.70149 14.6138 8.13148 5.92578 numMergedOcc 0
31 mol 256 unq 0 iso 0 dist 9.31961 11.1373 6.37963 19.9451 13.5199 9.74449 numMergedOcc 0
32 mol 271 unq 0 iso 0 dist 8.7861 13.4659 5.92274 12.4374 4.17949 6.85471 numMergedOcc 0
33 mol 273 unq 0 iso 0 dist 8.16005 5.63899 7.16346 7.84151 11.4694 9.16554 numMergedOcc 0
34 mol 273 unq 1 iso 0 dist 8.16005 5.63899 7.16346 7.85797 4.73332 9.65597 numMergedOcc 0
35 mol 277 unq 0 iso 0 dist 7.88238 13.008 8.20644 13.9579 10.7039 9.35976 numMergedOcc 0
