0 mol 0 unq 0 iso 0 dist 9.94618 6.94181 14.0556 5.47921 15.3785 7.15528 10.961 19.0999 10.4498 9.23213 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.94618 6.94181 14.0556 5.47921 15.3785 7.15528 11.2375 19.3801 5.52201 8.81979 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 6.0323 7.15434 5.70161 11.2706 12.2471 7.10621 16.3188 16.4537 10.789 7.31201 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 6.0323 7.15434 5.70161 11.2706 12.2471 7.10621 13.7477 15.401 10.515 9.36807 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 7.53564 9.17086 10.323 5.90113 9.74445 8.80331 14.2386 12.8035 10.4442 9.83618 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 6.10175 6.54183 10.1356 5.65405 5.59773 8.10861 8.41365 10.352 10.1332 5.02241 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 8.71615 6.7212 5.46166 11.6369 15.4232 9.96708 11.9031 11.7999 7.11552 6.77912 numMergedOcc 0
7 mol 72 unq 1 iso 0 dist 8.71615 6.7212 5.46166 6.12361 13.8194 9.78528 10.8529 14.6355 11.6894 9.02278 numMergedOcc 0
8 mol 75 unq 0 iso 0 dist 8.47302 8.2147 5.4217 13.5815 13.0997 7.79912 15.5568 15.2137 10.0425 5.15851 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 5.24519 8.81172 6.29427 5.34484 7.70533 9.84395 11.3437 12.4058 11.3679 6.62561 numMergedOcc 0
10 mol 126 unq 0 iso 0 dist 9.40608 6.24392 7.01529 5.50061 9.54928 6.06638 10.8729 13.0595 7.01257 7.75534 numMergedOcc 0
11 mol 142 unq 0 iso 0 dist 9.5355 7.15087 13.1936 8.68855 7.57458 9.2313 9.15112 5.81429 9.49653 7.15475 numMergedOcc 0
12 mol 142 unq 1 iso 0 dist 9.5355 7.15087 13.1936 5.50176 10.5524 5.31024 9.15112 5.81429 9.49653 9.07935 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 6.67598 9.19499 5.0966 5.66289 7.30021 7.44554 9.40225 10.3893 7.29758 6.27641 numMergedOcc 0
14 mol 156 unq 1 iso 0 dist 6.67598 7.11647 5.75141 5.66289 7.30021 8.94056 9.40225 10.3893 8.67156 6.27641 numMergedOcc 0
15 mol 156 unq 2 iso 0 dist 8.98636 9.19499 8.58765 5.66289 12.0043 7.44554 9.40225 13.7819 7.29758 6.27641 numMergedOcc 0
16 mol 156 unq 3 iso 0 dist 8.98636 7.11647 5.6208 5.66289 12.0043 8.94056 9.40225 13.7819 8.67156 6.27641 numMergedOcc 0
17 mol 156 unq 4 iso 0 dist 8.79185 9.19499 9.07974 5.66289 10.0734 7.44554 9.40225 7.02779 7.29758 6.27641 numMergedOcc 0
18 mol 156 unq 5 iso 0 dist 8.79185 7.11647 5.70205 5.66289 10.0734 8.94056 9.40225 7.02779 8.67156 6.27641 numMergedOcc 0
19 mol 156 unq 6 iso 0 dist 9.41152 7.98018 4.7382 4.68187 12.6493 9.83699 4.94012 6.75279 4.53931 6.27641 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 8.03259 8.90247 6.94401 5.114 11.2315 9.1374 9.30874 9.80135 6.25083 6.94688 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 8.03259 8.90247 6.94401 5.114 11.2315 9.1374 5.54873 4.97806 4.77278 6.71012 numMergedOcc 0
22 mol 209 unq 0 iso 0 dist 8.65539 6.14896 7.49966 9.80484 14.3923 7.56373 11.2201 8.6277 6.43758 9.52027 numMergedOcc 0
23 mol 224 unq 0 iso 0 dist 8.68767 9.73411 14.3302 14.1073 20.6047 8.95269 17.4905 23.5528 9.36098 7.06793 numMergedOcc 0
24 mol 224 unq 1 iso 0 dist 8.68767 9.73411 14.3302 14.1073 20.6047 8.95269 14.0429 18.3341 5.29877 6.67585 numMergedOcc 0
25 mol 224 unq 2 iso 0 dist 8.68767 9.73411 14.3302 9.81806 15.9877 6.57273 14.0429 18.3341 5.29877 6.65984 numMergedOcc 0
26 mol 224 unq 3 iso 0 dist 7.7163 7.07564 5.63485 11.8217 9.34636 8.95269 9.97425 5.46434 9.36098 7.06793 numMergedOcc 0
27 mol 224 unq 4 iso 0 dist 7.7163 7.07564 5.63485 11.8217 9.34636 8.95269 10.7344 5.03449 5.29877 6.67585 numMergedOcc 0
28 mol 224 unq 5 iso 0 dist 7.7163 7.07564 5.63485 10.8463 9.79616 6.57273 10.7344 5.03449 5.29877 6.65984 numMergedOcc 0
29 mol 224 unq 6 iso 0 dist 9.2 7.07564 4.8786 11.8217 12.8171 8.95269 9.97425 11.0842 9.36098 7.06793 numMergedOcc 0
30 mol 224 unq 7 iso 0 dist 9.2 7.07564 4.8786 11.8217 12.8171 8.95269 10.7344 7.05732 5.29877 6.67585 numMergedOcc 0
31 mol 224 unq 8 iso 0 dist 9.2 7.07564 4.8786 10.8463 11.1052 6.57273 10.7344 7.05732 5.29877 6.65984 numMergedOcc 0
