0 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 12.2041 10.5461 5.72491 10.3148 5.03847 10.1959 8.72114 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 5.72491 5.44992 12.2041 12.2333 7.88043 11.2662 12.4827 7.25346 5.99972 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 8.96553 7.3915 7.43529 12.4076 10.9634 6.82379 8.53529 4.36226 5.65816 7.03958 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 7.82074 6.36455 5.18512 5.03957 4.54938 6.92532 12.3215 9.74255 13.9675 7.75618 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 5.54419 4.93188 4.33963 12.3067 7.36323 9.24958 8.70827 5.59311 9.75636 9.12854 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 7.36323 9.24958 4.33963 12.3067 5.54419 4.93188 9.12854 5.59311 9.75636 8.70827 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 7.36323 9.24958 4.33963 12.3067 5.54419 4.93188 18.673 12.176 10.0715 6.73939 numMergedOcc 0
7 mol 25 unq 0 iso 0 dist 7.57578 6.90155 9.36158 10.6808 13.7311 5.81959 7.92503 6.11127 6.61233 8.6653 numMergedOcc 0
8 mol 25 unq 1 iso 0 dist 7.17969 6.90155 10.1525 10.6808 12.9968 5.81959 7.92503 5.30154 6.61233 8.6653 numMergedOcc 0
9 mol 25 unq 2 iso 0 dist 7.31767 5.81959 7.63409 10.6808 12.4135 6.90155 16.0183 17.14 11.0508 6.16347 numMergedOcc 0
10 mol 25 unq 3 iso 0 dist 7.31767 5.81959 7.63409 10.6808 12.4135 6.90155 8.6653 5.64303 6.61233 7.92503 numMergedOcc 0
11 mol 25 unq 4 iso 0 dist 6.03987 5.81959 8.4666 10.6808 11.6743 6.90155 16.0183 17.3842 11.0508 6.16347 numMergedOcc 0
12 mol 25 unq 5 iso 0 dist 6.03987 5.81959 8.4666 10.6808 11.6743 6.90155 8.6653 5.82503 6.61233 7.92503 numMergedOcc 0
13 mol 26 unq 0 iso 0 dist 8.34347 5.69955 10.6756 9.78225 17.7357 8.6385 10.177 15.5 5.30297 7.36856 numMergedOcc 0
14 mol 60 unq 0 iso 0 dist 8.90863 8.82176 13.0114 5.00018 11.1899 7.55695 11.6165 12.5049 4.82351 9.90939 numMergedOcc 0
15 mol 60 unq 1 iso 0 dist 8.33063 9.96399 9.62257 7.29309 8.7531 7.55695 10.5084 7.04075 4.82351 9.90939 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 8.70481 8.85586 14.8866 8.07446 16.0098 5.16364 12.4089 19.1381 9.03289 6.02816 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 4.85907 10.3704 7.99857 6.52773 7.20179 6.96805 9.11344 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 9.87172 7.99857 7.61939 4.85907 12.6489 8.56342 9.11344 10.9441 6.96805 6.52773 numMergedOcc 0
19 mol 119 unq 2 iso 0 dist 9.87172 7.99857 7.61939 4.85907 12.6489 8.56342 12.7677 20.1288 13.3975 9.23858 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 7.12972 6.92648 9.32969 6.63273 6.85062 9.29384 12.6227 14.2045 10.8127 8.70296 numMergedOcc 0
21 mol 131 unq 1 iso 0 dist 7.12972 6.92648 9.32969 6.63273 6.85062 9.29384 11.586 5.09131 11.2516 9.25558 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 9.09537 7.20392 5.93488 10.1912 5.98885 6.51749 18.0578 9.81073 13.0913 8.90963 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 8.87694 6.85302 8.90184 5.74635 7.54065 7.20574 14.2425 11.7429 11.8992 8.73217 numMergedOcc 0
24 mol 186 unq 1 iso 0 dist 9.09754 6.85302 4.37002 5.74635 10.7914 7.20574 14.2425 15.2571 11.8992 8.73217 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 6.03031 8.44861 5.28092 7.38516 7.26832 5.60393 12.3113 10.3603 8.46033 5.44002 numMergedOcc 0
26 mol 234 unq 0 iso 0 dist 9.45496 7.5366 5.63086 5.88703 6.56247 8.24186 13.293 4.46561 9.68666 9.81425 numMergedOcc 0
27 mol 234 unq 1 iso 0 dist 6.7625 7.5366 5.6819 5.88703 9.36357 8.24186 13.293 10.641 9.68666 9.81425 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 5.72887 7.32982 12.3808 10.0191 13.5431 6.66971 9.24557 14.7883 4.77308 7.57812 numMergedOcc 0
29 mol 238 unq 1 iso 0 dist 5.72887 7.32982 12.3808 10.0191 13.5431 6.66971 12.9364 17.6692 10.2777 8.69104 numMergedOcc 0
30 mol 258 unq 0 iso 0 dist 6.97229 8.15467 11.6066 4.26007 10.9661 9.1925 10.3917 15.2668 4.22544 9.63959 numMergedOcc 0
31 mol 258 unq 1 iso 0 dist 6.42289 7.99477 7.42673 7.26417 6.60405 6.70815 11.2102 5.63675 8.10604 7.21311 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 5.30224 8.59697 7.31951 9.98105 11.858 8.55558 10.4552 8.75685 6.31909 7.08526 numMergedOcc 0
