0 mol 24 unq 0 iso 0 dist 8.13365 10.5449 6.86014 17.544 10.0952 8.86116 8.12171 6.66749 9.41441 14.012 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.80849 13.9888 8.86116 16.8105 10.0952 6.86014 20.1114 14.012 9.41441 6.66749 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.66055 5.76106 6.81627 11.2215 5.47421 7.32874 10.7031 7.09066 7.21955 7.12541 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 7.66055 5.76106 6.81627 14.5289 9.7274 9.55426 10.7031 7.09066 7.21955 5.74871 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 6.47346 6.90896 5.83384 14.4108 9.05135 9.61051 10.3572 4.55551 6.28565 6.30169 numMergedOcc 0
5 mol 129 unq 1 iso 0 dist 6.47346 6.90896 5.83384 14.4108 9.05135 9.61051 14.0252 10.5488 7.58957 5.68211 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 9.05674 4.32516 6.5107 12.2159 9.56949 9.52634 10.4378 7.12976 6.66772 4.34568 numMergedOcc 0
7 mol 181 unq 0 iso 0 dist 9.50454 11.755 7.63312 15.3001 8.85576 7.81386 15.6882 12.5387 5.94469 7.77758 numMergedOcc 0
8 mol 181 unq 1 iso 0 dist 7.15963 14.1493 9.1374 17.347 13.2049 8.03334 12.8705 6.6251 6.2479 7.81713 numMergedOcc 0
9 mol 181 unq 2 iso 0 dist 7.15963 6.73556 5.98885 11.5431 10.1912 9.09537 5.87853 5.6044 9.72611 12.9468 numMergedOcc 0
10 mol 181 unq 3 iso 0 dist 7.15963 6.73556 5.98885 11.5431 10.1912 9.09537 12.8705 6.6251 7.99195 10.09 numMergedOcc 0
11 mol 181 unq 4 iso 0 dist 6.43406 10.9813 7.81386 13.9818 8.85576 7.63312 9.0234 7.77758 5.94469 12.5387 numMergedOcc 0
12 mol 181 unq 5 iso 0 dist 8.80581 10.209 7.63312 14.9028 8.85576 7.81386 15.8529 12.5387 5.94469 7.77758 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 6.44896 4.94984 5.59424 9.74252 5.76246 7.00794 11.3948 8.49529 8.77999 11.7523 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 6.04106 12.9245 7.26832 13.1824 7.38516 6.03031 18.1726 12.4957 6.03688 8.15057 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 6.04106 12.9245 7.26832 19.8591 13.8543 7.80463 18.1726 12.4957 6.03688 6.09749 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 7.17032 5.44278 6.56247 10.3795 6.29886 8.34494 10.7082 4.46561 9.81425 4.3717 numMergedOcc 0
17 mol 234 unq 1 iso 0 dist 7.17032 5.44278 6.56247 12.069 7.82322 9.36357 10.7082 4.46561 9.81425 10.641 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 5.29682 5.56656 8.13497 6.20344 4.69778 7.88519 10.7258 8.41846 7.98231 8.81835 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 6.20344 5.56656 7.88519 5.29682 4.69778 8.13497 10.7258 8.81835 7.98231 8.41846 numMergedOcc 0
20 mol 261 unq 0 iso 0 dist 6.85589 4.31412 8.43057 10.2299 10.0727 8.02547 10.8278 8.29908 8.43974 5.91643 numMergedOcc 0
21 mol 261 unq 1 iso 0 dist 6.85589 4.31412 8.43057 6.68878 4.63549 6.05727 10.8278 8.29908 8.43974 5.02383 numMergedOcc 0
22 mol 261 unq 2 iso 0 dist 6.68878 4.31412 6.05727 10.2299 5.51688 8.02547 10.8278 5.02383 8.43974 5.91643 numMergedOcc 0
23 mol 261 unq 3 iso 0 dist 6.68878 4.31412 6.05727 6.85589 4.63549 8.43057 10.8278 5.02383 8.43974 8.29908 numMergedOcc 0
24 mol 282 unq 0 iso 0 dist 7.34596 4.36798 8.76532 10.5849 10.0156 8.04483 11.3833 8.12478 9.0975 5.65568 numMergedOcc 0
25 mol 282 unq 1 iso 0 dist 7.34596 4.36798 8.76532 7.12228 4.66602 6.33524 11.3833 8.12478 9.0975 5.0324 numMergedOcc 0
26 mol 282 unq 2 iso 0 dist 7.12228 4.36798 6.33524 10.5849 5.39891 8.04483 11.3833 5.0324 9.0975 5.65568 numMergedOcc 0
27 mol 282 unq 3 iso 0 dist 7.12228 4.36798 6.33524 7.34596 4.66602 8.76532 11.3833 5.0324 9.0975 8.12478 numMergedOcc 0
