0 mol 28 unq 0 iso 0 dist 9.32784 6.11529 8.24422 6.71823 9.86409 5.81701 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.32784 11.7002 8.99724 6.71823 9.86409 8.89091 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.10681 6.10527 4.50643 13.9294 8.71284 11.137 numMergedOcc 0
3 mol 36 unq 0 iso 0 dist 9.57176 5.81511 6.63518 10.4791 9.16388 5.39321 numMergedOcc 0
4 mol 39 unq 0 iso 0 dist 7.95922 6.01377 8.86053 11.5078 9.70029 14.0851 numMergedOcc 0
5 mol 39 unq 1 iso 0 dist 7.95922 11.0291 8.76925 11.5078 9.70029 6.8989 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 4.22514 4.11549 6.29755 9.72275 9.57335 9.58891 numMergedOcc 0
7 mol 54 unq 1 iso 0 dist 4.22514 4.11549 6.29755 9.53962 8.60653 11.1253 numMergedOcc 0
8 mol 54 unq 2 iso 0 dist 4.22514 8.12687 7.4038 9.72275 9.57335 7.573 numMergedOcc 0
9 mol 54 unq 3 iso 0 dist 4.22514 8.12687 7.4038 9.53962 8.60653 10.063 numMergedOcc 0
10 mol 61 unq 0 iso 0 dist 9.0081 7.96488 7.77128 5.3464 5.67362 5.04866 numMergedOcc 0
11 mol 68 unq 0 iso 0 dist 8.52142 4.3044 5.48997 13.7955 8.87151 9.58376 numMergedOcc 0
12 mol 96 unq 0 iso 0 dist 9.63062 9.09553 9.06717 12.5294 9.92798 8.5743 numMergedOcc 0
13 mol 96 unq 1 iso 0 dist 9.63062 12.9876 9.579 12.5294 9.92798 4.0331 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 8.87984 16.6598 7.88143 5.69409 6.04768 12.9271 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 8.87984 12.958 6.62952 5.69409 6.04768 12.2431 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 9.0584 12.958 4.3521 5.69409 9.40173 12.2431 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 8.45309 4.62365 8.49577 11.5736 6.65725 8.87236 numMergedOcc 0
18 mol 233 unq 0 iso 0 dist 8.25961 10.2069 9.53639 6.3638 8.76329 6.33637 numMergedOcc 0
19 mol 233 unq 1 iso 0 dist 8.25961 10.2069 9.53639 10.361 9.91906 4.21435 numMergedOcc 0
20 mol 241 unq 0 iso 0 dist 4.66398 10.4606 8.00841 9.28668 9.14228 9.30696 numMergedOcc 0
21 mol 241 unq 1 iso 0 dist 9.05448 5.2107 8.00841 13.7746 9.14228 9.30696 numMergedOcc 0
22 mol 243 unq 0 iso 0 dist 6.76938 4.59857 7.2154 5.70601 7.74534 3.89742 numMergedOcc 0
23 mol 243 unq 1 iso 0 dist 6.41279 8.81017 7.2154 11.0217 7.74534 3.89742 numMergedOcc 0
24 mol 255 unq 0 iso 0 dist 8.17286 4.52659 7.16286 9.04467 9.96678 5.92336 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 5.15432 9.70626 8.51994 4.51217 7.10052 8.632 numMergedOcc 0
26 mol 279 unq 1 iso 0 dist 8.2375 4.37055 8.51994 7.77773 7.10052 8.632 numMergedOcc 0
27 mol 279 unq 2 iso 0 dist 9.23951 5.46911 8.51994 4.85823 7.10052 8.632 numMergedOcc 0
28 mol 280 unq 0 iso 0 dist 7.11605 7.87626 6.38295 9.27602 9.55885 12.6793 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 8.85872 9.44841 7.58907 8.18822 8.53802 5.1517 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 8.85872 9.44841 7.58907 8.18822 8.53802 5.1517 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 8.85872 9.44841 7.58907 8.18822 8.53802 5.1517 numMergedOcc 0
