0 mol 5 unq 0 iso 0 dist 7.8351 9.45559 10.0149 9.59917 7.95876 7.74636 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.8351 7.4332 10.4078 9.59917 7.95876 10.8912 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 9.23212 9.08736 7.28643 11.3059 6.54358 9.32171 numMergedOcc 0
3 mol 11 unq 1 iso 0 dist 9.23212 9.74528 9.68636 11.3059 6.54358 9.89425 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 8.37503 7.88072 9.52037 10.5203 6.74179 14.3934 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 5.36645 5.43913 3.63758 7.51675 9.17838 11.3818 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 5.36645 8.26877 6.88863 7.51675 9.17838 11.456 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 8.62769 6.81735 6.91496 5.17091 7.16132 9.41463 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.30194 7.02693 5.17781 10.7557 8.68662 13.1414 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 6.30194 7.02693 5.17781 11.1632 7.4369 11.6307 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 7.01889 8.58248 4.73407 16.3376 9.73086 11.6307 numMergedOcc 0
11 mol 76 unq 0 iso 0 dist 4.83274 5.91098 3.69293 8.55291 9.6952 10.9358 numMergedOcc 0
12 mol 76 unq 1 iso 0 dist 7.89214 4.86523 3.69293 13.2696 9.6952 10.9358 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 8.26838 9.02905 4.73066 8.32734 8.27883 4.3439 numMergedOcc 0
14 mol 95 unq 1 iso 0 dist 8.26838 9.02905 4.73066 4.79063 5.75428 6.05855 numMergedOcc 0
15 mol 95 unq 2 iso 0 dist 8.26838 9.02905 4.73066 4.05985 8.57395 11.1729 numMergedOcc 0
16 mol 95 unq 3 iso 0 dist 8.26838 9.02905 4.73066 12.6917 9.85409 14.5416 numMergedOcc 0
17 mol 112 unq 0 iso 0 dist 8.35164 9.64908 6.35793 6.13615 9.02706 5.92828 numMergedOcc 0
18 mol 112 unq 1 iso 0 dist 8.35164 9.64908 6.35793 4.49971 9.39168 9.1247 numMergedOcc 0
19 mol 112 unq 2 iso 0 dist 9.43616 9.64908 4.69658 6.13615 8.47988 5.92828 numMergedOcc 0
20 mol 112 unq 3 iso 0 dist 9.43616 9.64908 4.69658 4.49971 8.0427 9.1247 numMergedOcc 0
21 mol 127 unq 0 iso 0 dist 8.62711 9.64136 3.97136 9.74982 6.08673 8.09691 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 5.30872 8.10681 7.20921 5.88056 5.37047 11.8292 numMergedOcc 0
23 mol 143 unq 1 iso 0 dist 7.5984 5.33772 6.75249 14.6282 7.36975 11.7801 numMergedOcc 0
24 mol 143 unq 2 iso 0 dist 7.5984 5.33772 6.75249 7.11802 5.40637 6.60366 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 6.99623 9.12589 4.42375 13.4486 9.3498 12.0605 numMergedOcc 0
26 mol 204 unq 0 iso 0 dist 7.7292 6.46946 6.49075 5.99091 7.9133 10.9013 numMergedOcc 0
27 mol 204 unq 1 iso 0 dist 6.27396 6.46946 8.62057 5.22975 5.94972 11.1015 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 6.57849 8.83628 4.69695 6.31671 8.4844 7.68686 numMergedOcc 0
29 mol 217 unq 0 iso 0 dist 5.10683 7.94351 5.62746 5.27109 7.60269 11.7424 numMergedOcc 0
30 mol 219 unq 0 iso 0 dist 8.09769 8.58891 10.0702 4.74338 4.33238 10.4363 numMergedOcc 0
31 mol 219 unq 1 iso 0 dist 7.24832 8.58891 5.0824 4.74338 7.83604 10.4363 numMergedOcc 0
32 mol 279 unq 0 iso 0 dist 6.47376 9.98182 5.84996 4.91802 6.35028 11.6824 numMergedOcc 0
33 mol 284 unq 0 iso 0 dist 7.34344 8.2236 12.4957 12.1528 5.83329 16.2381 numMergedOcc 0
