0 mol 59 unq 0 iso 0 dist 9.41952 5.58384 6.55138 3.60121 10.9901 5.70814 numMergedOcc 0
1 mol 67 unq 0 iso 0 dist 8.34804 6.23298 10.2575 5.32316 12.4225 9.85405 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.09675 6.70925 7.78899 11.1443 13.7185 9.87177 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.09675 6.70925 7.78899 5.04503 9.02753 8.95756 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 9.02753 8.95756 7.78899 15.9639 13.7185 9.87177 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 9.02753 8.95756 7.78899 5.04503 8.09675 6.70925 numMergedOcc 0
6 mol 86 unq 0 iso 0 dist 8.32885 7.91639 6.24673 10.7489 12.3861 8.52942 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 5.53726 9.88184 7.30364 7.35589 10.4835 9.93688 numMergedOcc 0
8 mol 102 unq 0 iso 0 dist 9.22651 8.07962 6.43211 5.31804 5.32892 7.58908 numMergedOcc 0
9 mol 102 unq 1 iso 0 dist 9.22651 9.54857 6.93587 5.31804 5.32892 9.32058 numMergedOcc 0
10 mol 102 unq 2 iso 0 dist 5.32892 7.58908 6.43211 5.31804 9.22651 8.07962 numMergedOcc 0
11 mol 102 unq 3 iso 0 dist 5.32892 9.32058 6.93587 5.31804 9.22651 9.54857 numMergedOcc 0
12 mol 103 unq 0 iso 0 dist 6.36357 6.67575 8.47667 10.3429 14.5591 8.9889 numMergedOcc 0
13 mol 128 unq 0 iso 0 dist 9.50023 5.4772 6.65276 3.57533 12.928 7.84607 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 9.96416 9.63488 15.8182 11.1037 15.6986 9.31907 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 7.17051 9.63488 13.6469 11.1037 18.0226 9.31907 numMergedOcc 0
16 mol 133 unq 2 iso 0 dist 5.9962 9.63488 6.63023 11.1037 8.61448 9.31907 numMergedOcc 0
17 mol 133 unq 3 iso 0 dist 8.61448 9.31907 6.63023 11.1037 5.9962 9.63488 numMergedOcc 0
18 mol 139 unq 0 iso 0 dist 5.77343 8.27507 6.5333 7.6075 10.943 9.99665 numMergedOcc 0
19 mol 183 unq 0 iso 0 dist 9.15795 5.83335 11.7914 3.75614 8.72128 7.86724 numMergedOcc 0
20 mol 183 unq 1 iso 0 dist 9.15795 9.92635 6.08414 3.75614 8.72128 7.85507 numMergedOcc 0
21 mol 183 unq 2 iso 0 dist 8.72128 7.86724 11.7914 3.75614 9.15795 5.83335 numMergedOcc 0
22 mol 183 unq 3 iso 0 dist 8.72128 7.85507 6.08414 3.75614 9.15795 9.92635 numMergedOcc 0
23 mol 204 unq 0 iso 0 dist 8.40718 5.67196 11.2342 3.78668 11.1756 7.19213 numMergedOcc 0
24 mol 264 unq 0 iso 0 dist 9.67311 9.8799 7.84436 14.4112 12.5679 8.05522 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 9.36806 9.33447 5.69904 6.47501 7.51446 3.90274 numMergedOcc 0
26 mol 266 unq 1 iso 0 dist 7.51446 3.90274 5.69904 6.47501 9.36806 9.33447 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 8.299 7.87072 9.69939 9.52032 9.5717 4.75866 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 7.47179 8.34389 10.9407 3.73926 10.8483 8.25083 numMergedOcc 0
29 mol 288 unq 0 iso 0 dist 7.47179 8.34389 10.9407 3.73926 10.8483 8.25083 numMergedOcc 0
30 mol 289 unq 0 iso 0 dist 7.47179 8.34389 10.9407 3.73926 10.8483 8.25083 numMergedOcc 0
