0 mol 1 unq 0 iso 0 dist 7.59404 5.1888 8.61411 12.2868 9.76602 10.4951 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 7.59404 5.1888 8.61411 5.06494 8.54314 9.49258 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 8.99557 9.89704 8.55031 13.9983 9.50444 9.9271 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 8.29369 13.023 6.02034 15.0398 9.4486 13.0908 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 6.75455 10.7809 6.02034 14.0841 9.4486 13.0908 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 8.48295 14.4549 9.83906 3.98211 5.51406 11.5684 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.61579 5.58848 6.61879 10.5888 7.11127 9.18589 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 9.61579 5.58848 6.61879 10.2369 6.91655 5.90337 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 9.61579 14.8346 7.81131 10.5888 7.11127 9.58876 numMergedOcc 0
9 mol 92 unq 3 iso 0 dist 9.61579 14.8346 7.81131 10.2369 6.91655 5.64135 numMergedOcc 0
10 mol 92 unq 4 iso 0 dist 9.28919 5.73112 5.74364 10.9738 9.18898 9.52463 numMergedOcc 0
11 mol 92 unq 5 iso 0 dist 9.28919 5.73112 5.74364 10.3703 7.67331 6.07224 numMergedOcc 0
12 mol 92 unq 6 iso 0 dist 9.28919 15.1516 8.60026 10.9738 9.18898 9.30089 numMergedOcc 0
13 mol 92 unq 7 iso 0 dist 9.28919 15.1516 8.60026 10.3703 7.67331 5.77554 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 9.52341 9.44398 8.39253 9.62296 8.4733 13.7956 numMergedOcc 0
15 mol 148 unq 0 iso 0 dist 8.6499 9.82008 6.60739 8.40891 9.80819 12.193 numMergedOcc 0
16 mol 148 unq 1 iso 0 dist 8.6499 7.50382 9.22427 8.40891 9.80819 14.6053 numMergedOcc 0
17 mol 148 unq 2 iso 0 dist 8.6499 12.5069 5.55129 8.40891 9.80819 11.2269 numMergedOcc 0
18 mol 150 unq 0 iso 0 dist 8.75339 9.83293 6.71763 8.32178 9.81665 12.1772 numMergedOcc 0
19 mol 150 unq 1 iso 0 dist 8.75339 7.48524 9.32504 8.32178 9.81665 14.5231 numMergedOcc 0
20 mol 150 unq 2 iso 0 dist 8.75339 12.4366 5.53778 8.32178 9.81665 11.1674 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 8.67838 6.18164 4.96259 6.10683 6.95568 5.87168 numMergedOcc 0
22 mol 204 unq 0 iso 0 dist 7.95977 8.91299 5.67196 5.98511 8.62191 6.08392 numMergedOcc 0
23 mol 204 unq 1 iso 0 dist 8.17025 6.42715 5.67196 8.72246 8.62191 6.08392 numMergedOcc 0
24 mol 278 unq 0 iso 0 dist 8.31953 12.33 6.97456 9.4448 6.81257 5.39083 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 9.70244 10.9593 8.34389 11.2057 8.42076 13.6869 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 9.70244 10.9593 8.34389 11.2057 8.42076 13.6869 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 9.70244 10.9593 8.34389 11.2057 8.42076 13.6869 numMergedOcc 0
