0 mol 24 unq 0 iso 0 dist 7.84552 9.85198 6.48457 17.6734 13.862 8.09311 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 7.84552 9.85198 6.48457 17.0572 9.94168 9.05357 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.36759 14.6904 9.07906 15.762 11.2174 6.75943 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 5.0553 11.8429 9.07906 15.4003 11.2174 6.75943 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 9.00217 14.94 9.18809 10.0149 5.69088 9.8703 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 7.65495 9.1771 8.72013 14.6918 14.5311 6.85523 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 7.65495 9.1771 8.72013 10.8124 7.35317 5.77326 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 9.76134 10.9135 5.94552 16.4147 10.0317 8.80934 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 7.34368 12.9049 8.17522 13.1374 5.83338 7.79505 numMergedOcc 0
9 mol 127 unq 1 iso 0 dist 7.34368 12.7518 8.14341 13.1374 5.83338 7.36199 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 9.87656 14.7987 8.86966 15.8325 10.8368 6.70693 numMergedOcc 0
11 mol 152 unq 1 iso 0 dist 5.35463 11.7248 8.86966 15.1989 10.8368 6.70693 numMergedOcc 0
12 mol 167 unq 0 iso 0 dist 7.78684 8.89995 6.85239 13.3506 6.15234 7.68266 numMergedOcc 0
13 mol 167 unq 1 iso 0 dist 7.78684 8.89995 6.85239 12.2826 5.75062 6.84752 numMergedOcc 0
14 mol 167 unq 2 iso 0 dist 7.78684 6.43506 5.72735 10.4953 6.09401 7.20495 numMergedOcc 0
15 mol 167 unq 3 iso 0 dist 7.78684 6.43506 5.72735 13.3506 6.15234 9.2289 numMergedOcc 0
16 mol 167 unq 4 iso 0 dist 7.78684 6.43506 5.72735 12.2826 5.75062 7.02548 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 5.84716 7.82249 9.37545 5.27578 4.4877 9.3498 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 5.84716 9.09826 6.02579 5.27578 4.4877 7.05695 numMergedOcc 0
19 mol 186 unq 2 iso 0 dist 5.88987 5.47219 9.37545 8.25953 4.4877 9.3498 numMergedOcc 0
20 mol 186 unq 3 iso 0 dist 5.88987 6.51869 6.02579 8.25953 4.4877 7.05695 numMergedOcc 0
21 mol 192 unq 0 iso 0 dist 9.99252 6.34098 8.63044 9.63224 9.64278 9.78634 numMergedOcc 0
22 mol 192 unq 1 iso 0 dist 9.99252 6.34098 8.63044 6.98794 10.8255 5.64942 numMergedOcc 0
23 mol 192 unq 2 iso 0 dist 9.99252 6.34098 8.63044 10.4238 12.9782 7.43054 numMergedOcc 0
24 mol 198 unq 0 iso 0 dist 8.95625 12.2253 8.32738 10.4961 6.14929 9.31526 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 9.49617 13.7273 7.23959 12.9703 5.19623 6.52816 numMergedOcc 0
26 mol 205 unq 1 iso 0 dist 9.15508 4.25942 7.23959 6.75579 5.19623 6.52816 numMergedOcc 0
27 mol 210 unq 0 iso 0 dist 8.86708 7.52343 5.62219 10.7155 3.61565 8.63693 numMergedOcc 0
28 mol 210 unq 1 iso 0 dist 5.86875 8.99603 5.62219 8.25288 3.61565 8.63693 numMergedOcc 0
29 mol 224 unq 0 iso 0 dist 5.74939 6.70321 8.20295 14.4359 13.4882 8.08349 numMergedOcc 0
30 mol 224 unq 1 iso 0 dist 9.55911 4.55824 7.80754 5.36326 9.06907 8.08349 numMergedOcc 0
