0 mol 4 unq 0 iso 0 dist 7.09907 5.9625 9.79054 12.8788 8.57798 13.8402 numMergedOcc 0
1 mol 6 unq 0 iso 0 dist 9.47965 16.4452 9.97675 6.10198 9.12718 12.2505 numMergedOcc 0
2 mol 6 unq 1 iso 0 dist 9.78307 9.87531 8.36949 6.13945 9.88195 5.64998 numMergedOcc 0
3 mol 6 unq 2 iso 0 dist 9.78307 6.81551 8.8273 6.13945 9.88195 7.35849 numMergedOcc 0
4 mol 7 unq 0 iso 0 dist 9.84857 8.57713 9.58865 5.75115 9.76779 13.2235 numMergedOcc 0
5 mol 32 unq 0 iso 0 dist 9.03144 5.80429 8.89682 4.4478 8.96415 4.88331 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 9.18109 5.02379 6.17472 7.84627 9.52614 5.22602 numMergedOcc 0
7 mol 46 unq 0 iso 0 dist 8.55031 11.9729 8.16059 16.2136 9.7218 5.37947 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 7.40694 5.28198 7.99399 5.05927 8.40971 7.48351 numMergedOcc 0
9 mol 59 unq 0 iso 0 dist 6.34078 4.97125 9.35329 5.30815 7.37357 9.14875 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 9.06225 13.42 7.71596 17.6911 9.45905 6.04567 numMergedOcc 0
11 mol 83 unq 0 iso 0 dist 8.95808 5.86285 7.78306 9.89759 7.02558 4.61198 numMergedOcc 0
12 mol 83 unq 1 iso 0 dist 8.48766 11.8236 7.78306 12.1829 7.02558 4.61198 numMergedOcc 0
13 mol 90 unq 0 iso 0 dist 9.28585 10.156 8.6308 6.91704 9.46251 12.5661 numMergedOcc 0
14 mol 108 unq 0 iso 0 dist 6.46069 5.64746 9.24001 10.5433 7.84262 13.8402 numMergedOcc 0
15 mol 108 unq 1 iso 0 dist 6.46069 5.64746 9.24001 12.2277 9.29208 12.7621 numMergedOcc 0
16 mol 112 unq 0 iso 0 dist 6.30128 10.8208 9.17909 4.874 9.45513 11.6501 numMergedOcc 0
17 mol 112 unq 1 iso 0 dist 6.30128 4.59061 9.37708 4.874 9.45513 6.25175 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 9.2167 6.32623 9.29439 9.20895 9.22776 5.94065 numMergedOcc 0
19 mol 183 unq 0 iso 0 dist 7.38821 8.72592 9.82833 5.24909 9.59741 10.7823 numMergedOcc 0
20 mol 183 unq 1 iso 0 dist 9.92635 15.7519 9.81282 13.9974 8.74697 17.0614 numMergedOcc 0
21 mol 183 unq 2 iso 0 dist 7.85507 15.2905 9.81282 10.3061 8.74697 17.0614 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 9.71223 13.4102 8.09373 9.45075 8.43722 4.98693 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 9.32657 14.0402 8.21112 12.5507 9.69941 12.3793 numMergedOcc 0
24 mol 205 unq 1 iso 0 dist 9.32657 11.0093 7.06533 12.5507 9.69941 13.5692 numMergedOcc 0
25 mol 205 unq 2 iso 0 dist 9.32657 7.30488 5.94835 12.5507 9.69941 5.61877 numMergedOcc 0
26 mol 205 unq 3 iso 0 dist 6.21409 7.30488 6.76947 3.88413 6.88402 10.5655 numMergedOcc 0
27 mol 212 unq 0 iso 0 dist 7.73701 4.95466 6.41916 7.59302 9.12948 3.81896 numMergedOcc 0
28 mol 218 unq 0 iso 0 dist 6.2441 6.7488 5.98076 6.63238 8.73468 6.76584 numMergedOcc 0
29 mol 239 unq 0 iso 0 dist 8.68803 4.53635 8.01565 9.67509 9.05655 5.58332 numMergedOcc 0
30 mol 256 unq 0 iso 0 dist 9.37687 4.19031 8.11884 5.57318 9.7777 5.07886 numMergedOcc 0
31 mol 257 unq 0 iso 0 dist 8.43067 9.14736 5.65496 11.5712 6.75578 6.00217 numMergedOcc 0
32 mol 257 unq 1 iso 0 dist 7.6127 4.77705 5.65496 9.42674 6.75578 6.00217 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 5.98006 7.8775 9.16791 5.30516 6.13752 6.30893 numMergedOcc 0
34 mol 266 unq 0 iso 0 dist 9.33447 9.20929 6.35457 7.43132 8.14167 9.55474 numMergedOcc 0
35 mol 266 unq 1 iso 0 dist 3.90274 4.55986 6.35457 8.18304 8.14167 9.55474 numMergedOcc 0
