0 mol 12 unq 0 iso 0 dist 7.44542 8.99098 11.8661 10.9602 8.18296 17.6088 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 7.44542 8.99098 11.8661 10.4006 7.99569 14.5681 numMergedOcc 0
2 mol 29 unq 0 iso 0 dist 6.73481 8.54108 5.82508 7.7212 9.19374 11.2551 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 7.68781 6.96066 8.50961 4.22631 7.74901 4.3247 numMergedOcc 0
4 mol 141 unq 0 iso 0 dist 9.28415 8.53875 9.442 12.541 8.46376 15.2013 numMergedOcc 0
5 mol 155 unq 0 iso 0 dist 8.08392 6.80942 11.0082 15.0233 9.83653 17.9326 numMergedOcc 0
6 mol 185 unq 0 iso 0 dist 7.64068 7.18997 6.35924 6.26644 6.68054 8.7695 numMergedOcc 0
7 mol 185 unq 1 iso 0 dist 9.83898 8.38127 8.43625 5.9439 6.68054 8.94849 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 8.32641 8.54588 4.70071 4.29967 9.2802 7.59836 numMergedOcc 0
9 mol 186 unq 1 iso 0 dist 8.32641 8.54588 4.70071 6.48822 7.2843 9.94274 numMergedOcc 0
10 mol 233 unq 0 iso 0 dist 8.20598 7.44436 5.33647 4.73615 9.83883 8.76329 numMergedOcc 0
11 mol 244 unq 0 iso 0 dist 9.53211 9.16789 8.64762 9.01951 9.97458 5.60146 numMergedOcc 0
12 mol 247 unq 0 iso 0 dist 8.40674 6.14554 7.17401 10.7268 6.29945 12.5725 numMergedOcc 0
13 mol 271 unq 0 iso 0 dist 9.80493 8.54162 12.5349 6.15348 5.75889 11.8112 numMergedOcc 0
14 mol 271 unq 1 iso 0 dist 6.75395 8.54162 7.94329 6.15348 7.03848 11.8112 numMergedOcc 0
15 mol 273 unq 0 iso 0 dist 9.80002 9.83374 7.01631 15.8648 9.57659 16.5825 numMergedOcc 0
16 mol 273 unq 1 iso 0 dist 9.80002 9.83374 7.01631 11.6682 7.8424 14.0133 numMergedOcc 0
17 mol 273 unq 2 iso 0 dist 9.80002 5.97798 7.05181 15.8648 9.57659 14.6687 numMergedOcc 0
18 mol 273 unq 3 iso 0 dist 9.80002 5.97798 7.05181 11.6682 7.8424 12.2765 numMergedOcc 0
19 mol 273 unq 4 iso 0 dist 6.73794 5.75335 7.01631 14.6347 9.57659 16.5825 numMergedOcc 0
20 mol 273 unq 5 iso 0 dist 6.73794 5.75335 7.01631 10.6008 7.8424 14.0133 numMergedOcc 0
21 mol 273 unq 6 iso 0 dist 6.73794 8.76527 7.05181 14.6347 9.57659 14.6687 numMergedOcc 0
22 mol 273 unq 7 iso 0 dist 6.73794 8.76527 7.05181 10.6008 7.8424 12.2765 numMergedOcc 0
23 mol 279 unq 0 iso 0 dist 9.56601 8.8643 4.77763 12.9629 9.29922 5.21664 numMergedOcc 0
24 mol 280 unq 0 iso 0 dist 7.78355 4.26671 6.12141 8.48093 8.47055 9.55885 numMergedOcc 0
25 mol 294 unq 0 iso 0 dist 8.55037 6.33332 10.8016 7.33654 7.14502 11.0572 numMergedOcc 0
