0 mol 98 unq 0 iso 0 dist 7.28942 14.0368 7.59354 10.2005 6.14241 8.87856 numMergedOcc 0
1 mol 98 unq 1 iso 0 dist 8.80424 6.2537 6.87293 11.196 4.75231 7.26246 numMergedOcc 0
2 mol 98 unq 2 iso 0 dist 8.80424 6.2537 6.87293 12.8678 14.3012 8.6728 numMergedOcc 0
3 mol 108 unq 0 iso 0 dist 6.29966 13.0702 7.84262 19.7164 13.8402 9.24001 numMergedOcc 0
4 mol 108 unq 1 iso 0 dist 9.31725 13.816 7.84262 16.3206 13.8402 9.24001 numMergedOcc 0
5 mol 108 unq 2 iso 0 dist 9.57358 16.0071 7.84262 19.2845 13.8402 9.24001 numMergedOcc 0
6 mol 108 unq 3 iso 0 dist 5.38329 12.4008 7.84262 18.5653 13.8402 9.24001 numMergedOcc 0
7 mol 108 unq 4 iso 0 dist 7.62421 12.4008 9.29208 18.5653 12.7621 9.24001 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 7.1891 5.84646 7.24538 13.7814 9.44492 8.97683 numMergedOcc 0
9 mol 110 unq 1 iso 0 dist 7.67702 6.69022 7.24538 13.2998 9.44492 8.97683 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 9.79676 4.59384 6.00391 12.0385 10.0626 8.26291 numMergedOcc 0
11 mol 130 unq 1 iso 0 dist 9.79676 4.59384 6.00391 7.71664 9.84637 7.86001 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 8.83252 7.55512 5.71438 10.3824 5.57895 7.08434 numMergedOcc 0
13 mol 178 unq 1 iso 0 dist 9.56963 5.24683 7.69328 11.2956 5.75463 7.08434 numMergedOcc 0
14 mol 178 unq 2 iso 0 dist 5.95885 7.55512 7.69328 10.3824 5.75463 7.08434 numMergedOcc 0
15 mol 183 unq 0 iso 0 dist 9.11445 7.30913 9.59741 15.3026 10.7823 9.82833 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 9.4588 9.55305 8.43722 8.41494 4.98693 8.09373 numMergedOcc 0
17 mol 189 unq 0 iso 0 dist 8.78842 5.47511 7.76062 13.4389 8.64858 8.80847 numMergedOcc 0
18 mol 189 unq 1 iso 0 dist 5.7583 5.47511 8.64309 13.4389 13.4994 8.80847 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 9.4525 6.90885 5.34387 11.107 6.39826 9.56271 numMergedOcc 0
20 mol 253 unq 0 iso 0 dist 8.08789 5.35043 5.80702 14.0425 7.29241 9.35766 numMergedOcc 0
21 mol 257 unq 0 iso 0 dist 8.42116 13.3046 6.75578 12.4676 6.00217 5.65496 numMergedOcc 0
22 mol 257 unq 1 iso 0 dist 8.53984 11.62 6.75578 12.7422 6.00217 5.65496 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 7.42888 3.7042 7.66806 6.81635 9.56106 9.26487 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 8.87598 10.7991 9.29355 5.80603 9.33289 7.4294 numMergedOcc 0
25 mol 259 unq 1 iso 0 dist 8.87598 4.98212 6.13752 13.6688 6.30893 9.16791 numMergedOcc 0
26 mol 294 unq 0 iso 0 dist 5.02677 9.80619 8.60714 13.8302 13.7395 7.86768 numMergedOcc 0
27 mol 294 unq 1 iso 0 dist 8.34193 10.7137 8.60714 16.6218 13.7395 7.86768 numMergedOcc 0
