0 mol 28 unq 0 iso 0 dist 9.32784 6.11529 8.24422 6.71823 9.86409 5.81701 10.9344 5.75809 8.89273 7.57437 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.32784 11.7002 8.99724 6.71823 9.86409 8.89091 10.9344 5.75809 8.10455 7.57437 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.10681 6.10527 4.50643 13.9294 8.71284 11.137 8.3237 9.36493 9.45561 7.83556 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 9.10681 6.10527 4.50643 13.9294 8.71284 11.137 11.3659 9.0665 8.57695 6.59793 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 9.10681 6.10527 4.50643 13.9294 8.71284 11.137 15.0854 7.07773 9.30664 9.10687 numMergedOcc 0
5 mol 36 unq 0 iso 0 dist 9.57176 5.81511 6.63518 10.4791 9.16388 5.39321 11.721 7.00857 6.28198 3.58776 numMergedOcc 0
6 mol 39 unq 0 iso 0 dist 7.95922 6.01377 8.86053 11.5078 9.70029 14.0851 5.05915 8.82943 10.8914 10.7337 numMergedOcc 0
7 mol 39 unq 1 iso 0 dist 7.95922 11.0291 8.76925 11.5078 9.70029 6.8989 5.05915 8.82943 13.1234 10.7337 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 4.22514 4.11549 6.29755 9.72275 9.57335 9.58891 11.8083 9.63616 15.2635 17.4558 numMergedOcc 0
9 mol 54 unq 1 iso 0 dist 4.22514 4.11549 6.29755 9.53962 8.60653 11.1253 11.8083 9.63616 15.2635 14.2852 numMergedOcc 0
10 mol 54 unq 2 iso 0 dist 4.22514 8.12687 7.4038 9.72275 9.57335 7.573 11.8083 9.63616 16.9039 17.4558 numMergedOcc 0
11 mol 54 unq 3 iso 0 dist 4.22514 8.12687 7.4038 9.53962 8.60653 10.063 11.8083 9.63616 16.9039 14.2852 numMergedOcc 0
12 mol 96 unq 0 iso 0 dist 9.63062 9.09553 9.06717 12.5294 9.92798 8.5743 6.0108 7.68964 9.28941 7.95162 numMergedOcc 0
13 mol 96 unq 1 iso 0 dist 9.63062 12.9876 9.579 12.5294 9.92798 4.0331 6.0108 7.68964 9.9118 7.95162 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 8.87984 16.6598 7.88143 5.69409 6.04768 12.9271 9.40876 8.73798 13.2666 10.256 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 8.87984 12.958 6.62952 5.69409 6.04768 12.2431 9.40876 8.73798 8.734 10.256 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 9.0584 12.958 4.3521 5.69409 9.40173 12.2431 9.40876 5.24616 8.734 10.256 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 8.45309 4.62365 8.49577 11.5736 6.65725 8.87236 10.5062 9.511 6.83738 4.79971 numMergedOcc 0
18 mol 184 unq 1 iso 0 dist 8.45309 4.62365 8.49577 11.5736 6.65725 8.87236 8.57356 7.72354 4.57656 5.05856 numMergedOcc 0
19 mol 233 unq 0 iso 0 dist 8.25961 10.2069 9.53639 6.3638 8.76329 6.33637 6.41178 5.22629 4.93324 5.24709 numMergedOcc 0
20 mol 233 unq 1 iso 0 dist 8.25961 10.2069 9.53639 10.361 9.91906 4.21435 6.41178 5.22629 4.93324 6.28883 numMergedOcc 0
21 mol 241 unq 0 iso 0 dist 4.66398 10.4606 8.00841 9.28668 9.14228 9.30696 11.3639 9.87415 8.58146 16.0653 numMergedOcc 0
22 mol 241 unq 1 iso 0 dist 9.05448 5.2107 8.00841 13.7746 9.14228 9.30696 6.51662 9.87415 8.58146 16.0653 numMergedOcc 0
23 mol 279 unq 0 iso 0 dist 5.15432 9.70626 8.51994 4.51217 7.10052 8.632 3.75969 5.76793 6.55422 5.21917 numMergedOcc 0
24 mol 279 unq 1 iso 0 dist 5.15432 9.70626 8.51994 4.51217 7.10052 8.632 11.1754 7.72276 6.12997 9.79726 numMergedOcc 0
25 mol 279 unq 2 iso 0 dist 8.2375 4.37055 8.51994 7.77773 7.10052 8.632 3.72823 5.76793 6.55422 5.21917 numMergedOcc 0
26 mol 279 unq 3 iso 0 dist 8.2375 4.37055 8.51994 7.77773 7.10052 8.632 9.62805 7.72276 6.12997 9.79726 numMergedOcc 0
27 mol 279 unq 4 iso 0 dist 9.23951 5.46911 8.51994 4.85823 7.10052 8.632 6.22298 5.76793 6.55422 5.21917 numMergedOcc 0
28 mol 279 unq 5 iso 0 dist 9.23951 5.46911 8.51994 4.85823 7.10052 8.632 8.30922 7.72276 6.12997 9.79726 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 8.85872 9.44841 7.58907 8.18822 8.53802 5.1517 3.76412 9.2144 9.21351 5.9468 numMergedOcc 0
30 mol 287 unq 1 iso 0 dist 8.85872 9.44841 7.58907 8.18822 8.53802 5.1517 5.39384 8.36585 4.96187 3.63993 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 8.85872 9.44841 7.58907 8.18822 8.53802 5.1517 3.76412 9.2144 9.21351 5.9468 numMergedOcc 0
32 mol 288 unq 1 iso 0 dist 8.85872 9.44841 7.58907 8.18822 8.53802 5.1517 5.39384 8.36585 4.96187 3.63993 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 8.85872 9.44841 7.58907 8.18822 8.53802 5.1517 3.76412 9.2144 9.21351 5.9468 numMergedOcc 0
34 mol 289 unq 1 iso 0 dist 8.85872 9.44841 7.58907 8.18822 8.53802 5.1517 5.39384 8.36585 4.96187 3.63993 numMergedOcc 0
