0 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
1 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
2 mol 92 unq 0 iso 0 dist 4.85152 5.90776 6.82886 11.1785 9.514 12.4557 6.58062 5.02124 9.97281 5.81965 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 4.85152 5.90776 6.82886 10.9352 7.84888 10.2618 6.58062 5.02124 9.97281 7.06013 numMergedOcc 0
4 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
5 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
6 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
7 mol 152 unq 0 iso 0 dist 8.84852 9.60838 5.43283 9.50073 9.10619 13.7502 16.6251 10.5988 15.4338 9.13561 numMergedOcc 0
8 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
9 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
10 mol 224 unq 0 iso 0 dist 4.99301 9.74059 10.9595 5.25583 6.56437 14.9391 12.1103 11.7838 21.4969 7.06793 numMergedOcc 0
11 mol 224 unq 1 iso 0 dist 4.99301 9.74059 10.9595 5.25583 6.56437 14.9391 11.055 10.4999 20.1468 6.67585 numMergedOcc 0
12 mol 224 unq 2 iso 0 dist 6.36813 9.74059 13.311 5.25583 6.23882 14.9391 12.1103 9.57742 21.4969 7.06793 numMergedOcc 0
13 mol 224 unq 3 iso 0 dist 6.36813 9.74059 13.311 5.25583 6.23882 14.9391 11.055 12.0368 20.1468 6.67585 numMergedOcc 0
14 mol 224 unq 4 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
15 mol 224 unq 5 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
16 mol 224 unq 6 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
17 mol 224 unq 7 iso 0 dist 7.7163 9.11052 10.3532 11.8217 9.34636 14.0676 9.97425 5.46434 14.7761 7.06793 numMergedOcc 0
18 mol 224 unq 8 iso 0 dist 7.7163 9.11052 10.3532 11.8217 9.34636 14.0676 10.7344 5.03449 10.449 6.67585 numMergedOcc 0
19 mol 224 unq 9 iso 0 dist 7.7163 9.11052 10.3532 10.8463 9.79616 10.5128 10.7344 5.03449 10.449 6.65984 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 9.42812 7.07459 13.8339 16.2915 6.90434 20.2357 14.4323 9.14131 17.7089 9.41725 numMergedOcc 0
