0 mol 59 unq 0 iso 0 dist 8.61357 8.69443 12.9966 7.14954 5.41134 14.1523 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 8.09675 6.70925 7.78899 5.04503 9.02753 8.95756 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 9.02753 8.95756 7.78899 5.04503 8.09675 6.70925 numMergedOcc 0
3 mol 86 unq 0 iso 0 dist 8.32885 7.91639 6.24673 7.3718 9.14653 12.3576 numMergedOcc 0
4 mol 87 unq 0 iso 0 dist 6.97882 5.87906 5.6513 10.9154 7.7858 12.9552 numMergedOcc 0
5 mol 102 unq 0 iso 0 dist 9.22651 8.07962 6.43211 5.31804 5.32892 7.58908 numMergedOcc 0
6 mol 102 unq 1 iso 0 dist 9.22651 9.54857 6.93587 5.31804 5.32892 9.32058 numMergedOcc 0
7 mol 102 unq 2 iso 0 dist 5.32892 7.58908 6.43211 5.31804 9.22651 8.07962 numMergedOcc 0
8 mol 102 unq 3 iso 0 dist 5.32892 9.32058 6.93587 5.31804 9.22651 9.54857 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 6.36357 9.81273 15.288 7.44304 5.52999 17.1682 numMergedOcc 0
10 mol 103 unq 1 iso 0 dist 6.36357 6.67575 8.47667 7.44304 5.52999 12.2142 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 9.34752 9.2167 12.8972 13.7299 8.41858 20.2625 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 9.34752 6.67306 5.7998 13.7299 8.41858 13.587 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 5.9962 9.63488 6.63023 11.1037 8.61448 9.31907 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 8.61448 9.31907 6.63023 11.1037 5.9962 9.63488 numMergedOcc 0
15 mol 183 unq 0 iso 0 dist 9.15795 5.83335 11.7914 3.75614 8.72128 7.86724 numMergedOcc 0
16 mol 183 unq 1 iso 0 dist 9.15795 9.92635 6.08414 3.75614 8.72128 7.85507 numMergedOcc 0
17 mol 183 unq 2 iso 0 dist 8.72128 9.86506 15.1826 3.75614 9.15795 11.3395 numMergedOcc 0
18 mol 183 unq 3 iso 0 dist 8.72128 7.86724 11.7914 3.75614 9.15795 5.83335 numMergedOcc 0
19 mol 183 unq 4 iso 0 dist 8.72128 7.85507 6.08414 3.75614 9.15795 9.92635 numMergedOcc 0
20 mol 185 unq 0 iso 0 dist 7.64068 5.40655 4.81985 12.1865 9.83898 13.4891 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 9.17911 6.18894 11.4659 18.0951 9.52903 20.9855 numMergedOcc 0
22 mol 258 unq 1 iso 0 dist 9.52903 9.4886 12.9877 18.0951 9.17911 20.6463 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 9.36806 9.33447 5.69904 6.47501 7.51446 3.90274 numMergedOcc 0
24 mol 266 unq 1 iso 0 dist 7.51446 3.90274 5.69904 6.47501 9.36806 9.33447 numMergedOcc 0
25 mol 266 unq 2 iso 0 dist 7.51446 7.49024 11.0588 6.47501 9.36806 10.4329 numMergedOcc 0
26 mol 273 unq 0 iso 0 dist 6.73794 8.78928 4.62586 8.25517 9.80002 13.9604 numMergedOcc 0
