0 mol 7 unq 0 iso 0 dist 5.51421 10.6104 8.41585 15.0847 10.6 6.81066 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 18.6421 14.0634 9.89546 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 9.52295 6.09486 9.07906 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 5.97635 10.7219 9.5589 14.4034 15.2053 8.41018 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 9.72689 13.7794 9.36773 20.547 11.9839 9.54952 numMergedOcc 0
5 mol 88 unq 1 iso 0 dist 7.74197 4.0486 9.36773 6.64933 11.9839 9.54952 numMergedOcc 0
6 mol 88 unq 2 iso 0 dist 7.86537 4.0486 8.31336 6.64933 10.6664 9.54952 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 9.65047 5.33325 7.27724 11.1742 14.2706 8.69749 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 9.65047 5.33325 7.27724 10.154 11.0946 5.96576 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 8.73648 9.47324 7.34473 14.5487 6.62208 8.43667 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 6.18763 5.3154 6.18601 6.29634 7.36889 6.16081 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 8.44385 12.1192 9.87172 6.29634 4.55137 8.20715 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 7.04864 6.81949 6.44653 11.6385 4.98499 8.1671 numMergedOcc 0
13 mol 127 unq 0 iso 0 dist 9.42513 8.60326 9.30299 9.91321 12.4721 8.82676 numMergedOcc 0
14 mol 132 unq 0 iso 0 dist 8.7366 4.90475 7.7059 5.25894 6.6218 5.36351 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 5.82404 4.64588 6.80239 6.31523 5.58281 8.75049 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 8.07256 11.1874 6.70283 9.06801 5.97115 8.86966 numMergedOcc 0
17 mol 152 unq 1 iso 0 dist 8.07256 8.36099 7.16148 9.06801 5.97115 5.7527 numMergedOcc 0
18 mol 167 unq 0 iso 0 dist 5.59806 8.66436 9.87651 6.00793 6.38496 5.72735 numMergedOcc 0
19 mol 192 unq 0 iso 0 dist 9.90531 8.43102 5.59424 16.5043 10.375 8.63044 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 7.85877 4.82768 7.21333 9.40044 10.367 8.36659 numMergedOcc 0
21 mol 222 unq 1 iso 0 dist 7.85877 4.82768 7.21333 13.6493 12.4303 9.18913 numMergedOcc 0
22 mol 235 unq 0 iso 0 dist 9.11256 6.84447 5.4638 11.5631 4.60986 8.95981 numMergedOcc 0
23 mol 235 unq 1 iso 0 dist 7.08539 7.38431 5.4638 10.4062 4.60986 8.95981 numMergedOcc 0
24 mol 249 unq 0 iso 0 dist 6.37672 4.24014 6.18582 5.68936 5.40456 7.27415 numMergedOcc 0
25 mol 249 unq 1 iso 0 dist 8.94023 5.36989 6.18582 9.92463 5.40456 7.27415 numMergedOcc 0
26 mol 264 unq 0 iso 0 dist 8.43858 8.55312 6.24356 14.869 14.5632 8.48407 numMergedOcc 0
27 mol 272 unq 0 iso 0 dist 9.64596 5.26991 8.48753 12.7116 9.96676 8.97468 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 9.71801 5.9882 7.56915 13.3406 8.93097 8.98154 numMergedOcc 0
