0 mol 14 unq 0 iso 0 dist 7.0208 10.5465 9.58196 9.64431 4.53725 9.04767 7.1503 10.3349 10.6873 9.58855 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 7.28563 12.3645 9.58196 8.51112 4.53725 9.04767 5.58434 10.3349 10.6873 9.58855 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.13365 10.5449 6.86014 17.544 10.0952 8.86116 16.0837 10.7114 6.58998 6.72502 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.47617 8.14351 6.20293 8.99509 5.06502 5.73819 13.4933 10.0649 5.48048 8.44903 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 5.73331 8.14351 8.93915 8.99509 5.89973 5.73819 13.4933 13.5072 5.48048 8.44903 numMergedOcc 0
5 mol 60 unq 0 iso 0 dist 8.46609 4.72836 6.65595 12.0878 6.54743 8.90863 17.052 10.0962 13.0114 8.82176 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 8.46609 12.4802 6.43294 18.3818 10.1562 8.33063 17.052 10.0962 9.62257 9.96399 numMergedOcc 0
7 mol 60 unq 2 iso 0 dist 8.46609 12.4802 6.43294 13.7633 5.67502 8.7531 17.052 10.0962 9.62257 7.55695 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 7.59073 4.53858 5.73196 11.7649 10.1164 7.66905 12.4019 14.9249 10.121 7.33422 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 5.11612 10.3475 9.33865 11.7895 8.02349 6.11741 13.1536 10.9766 6.08806 5.74857 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 5.11612 6.86762 5.83991 11.7895 8.02349 7.88312 13.1536 10.9766 7.21418 5.74857 numMergedOcc 0
11 mol 115 unq 2 iso 0 dist 5.22628 10.0419 9.33865 11.2519 7.69052 5.83991 12.9851 10.9734 6.4497 5.72642 numMergedOcc 0
12 mol 115 unq 3 iso 0 dist 5.22628 6.8104 6.11741 11.2519 7.69052 7.88312 12.9851 10.9734 7.3094 5.72642 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.94909 6.80087 8.00618 12.8006 11.965 6.29155 11.602 10.5656 5.74088 6.76699 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 9.0847 8.41711 6.70283 9.37459 5.42328 5.87555 13.8158 10.4911 5.59336 8.35555 numMergedOcc 0
15 mol 152 unq 1 iso 0 dist 9.0847 4.82496 7.16148 9.37459 5.42328 8.87437 13.8158 10.4911 10.9728 8.35555 numMergedOcc 0
16 mol 152 unq 2 iso 0 dist 6.00061 8.41711 8.67331 9.37459 5.54906 5.87555 13.8158 13.0858 5.59336 8.35555 numMergedOcc 0
17 mol 152 unq 3 iso 0 dist 6.00061 4.82496 8.05741 9.37459 5.54906 8.87437 13.8158 13.0858 10.9728 8.35555 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 7.15963 6.73556 5.98885 11.5431 10.1912 9.09537 4.41466 6.51749 5.93488 7.20392 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 6.04106 12.9245 7.26832 13.1824 7.38516 6.03031 10.0849 5.60393 5.28092 8.44861 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 7.94694 5.1071 7.7366 7.51923 5.63422 9.774 7.21122 12.3357 9.9412 8.70977 numMergedOcc 0
21 mol 229 unq 0 iso 0 dist 8.52933 10.568 9.06952 13.4598 6.84129 7.03423 11.4618 9.45972 9.62106 8.92743 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 6.15754 12.4455 6.56247 8.9413 5.88703 9.45496 14.1265 8.24186 5.63086 7.5366 numMergedOcc 0
23 mol 234 unq 1 iso 0 dist 6.15754 14.0876 9.36357 8.9413 5.88703 6.7625 14.1265 8.24186 5.6819 7.5366 numMergedOcc 0
24 mol 234 unq 2 iso 0 dist 6.6281 10.0624 6.56247 11.5469 5.88703 9.45496 14.0259 8.24186 5.63086 7.5366 numMergedOcc 0
25 mol 234 unq 3 iso 0 dist 6.6281 13.9869 9.36357 11.5469 5.88703 6.7625 14.0259 8.24186 5.6819 7.5366 numMergedOcc 0
26 mol 234 unq 4 iso 0 dist 8.9413 12.4455 9.45496 6.15754 5.88703 6.56247 14.1265 7.5366 5.63086 8.24186 numMergedOcc 0
27 mol 234 unq 5 iso 0 dist 8.9413 14.0876 6.7625 6.15754 5.88703 9.36357 14.1265 7.5366 5.6819 8.24186 numMergedOcc 0
28 mol 234 unq 6 iso 0 dist 4.91961 11.5103 9.45496 10.2233 5.88703 6.56247 8.3084 7.5366 5.63086 8.24186 numMergedOcc 0
29 mol 234 unq 7 iso 0 dist 4.91961 4.98993 6.7625 10.2233 5.88703 9.36357 8.3084 7.5366 5.6819 8.24186 numMergedOcc 0
30 mol 258 unq 0 iso 0 dist 5.31858 6.60345 6.42289 11.1218 7.26417 6.60405 11.0804 7.99477 7.42673 6.70815 numMergedOcc 0
