0 mol 7 unq 0 iso 0 dist 9.8603 16.6461 9.67164 24.1509 14.6751 9.96415 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.51421 4.7739 5.99459 11.3302 7.15287 9.96415 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 5.73067 5.96514 7.26639 7.96306 7.46414 4.74069 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 7.20538 7.2452 9.03564 14.8622 15.6547 8.25594 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 9.46247 3.77705 8.3733 8.34804 11 6.44825 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 8.04256 7.21365 7.39665 12.9322 5.31976 9.90923 numMergedOcc 0
6 mol 68 unq 1 iso 0 dist 7.51075 6.56256 7.39665 6.77421 5.31976 9.90923 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 8.06168 8.88868 6.45841 13.7185 6.97502 7.69222 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 8.06168 10.8798 5.61588 13.7185 6.97502 5.82056 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 8.06168 13.7267 7.83244 13.7185 6.97502 9.09115 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 8.67532 10.2047 6.45841 8.09675 6.97502 7.69222 numMergedOcc 0
11 mol 73 unq 4 iso 0 dist 8.67532 10.8441 5.61588 8.09675 6.97502 5.82056 numMergedOcc 0
12 mol 73 unq 5 iso 0 dist 8.67532 15.2203 7.83244 8.09675 6.97502 9.09115 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 9.71952 6.69911 8.13108 7.25561 13.0619 8.12959 numMergedOcc 0
14 mol 76 unq 1 iso 0 dist 7.28257 3.94216 8.13108 8.97499 13.0619 8.12959 numMergedOcc 0
15 mol 88 unq 0 iso 0 dist 9.72689 10.0429 7.80898 19.6536 14.7449 9.76849 numMergedOcc 0
16 mol 88 unq 1 iso 0 dist 7.74197 11.151 7.80898 13.6693 14.7449 9.76849 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 9.35868 4.57067 6.04595 10.1126 6.06198 8.86846 numMergedOcc 0
18 mol 129 unq 0 iso 0 dist 9.28278 9.63308 6.69691 7.13958 4.80675 9.31543 numMergedOcc 0
19 mol 129 unq 1 iso 0 dist 9.28278 9.05571 5.51197 7.13958 4.80675 8.85652 numMergedOcc 0
20 mol 139 unq 0 iso 0 dist 6.34417 4.37138 5.80789 10.5546 8.16051 6.79625 numMergedOcc 0
21 mol 139 unq 1 iso 0 dist 6.34417 4.37138 5.80789 5.77343 4.78289 7.20542 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 8.30654 9.60065 7.36975 16.38 10.1013 9.70788 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 9.84952 9.77747 9.01624 16.849 12.5935 8.39573 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 7.41378 4.76079 5.05973 11.8366 4.681 8.39573 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 5.96555 6.96644 6.52816 7.97183 4.25942 6.75579 numMergedOcc 0
26 mol 205 unq 1 iso 0 dist 8.10287 3.50446 8.4844 12.8036 15.4114 9.867 numMergedOcc 0
27 mol 257 unq 0 iso 0 dist 9.83721 14.007 7.81897 19.9329 10.8918 8.27649 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 8.06771 9.0675 9.46361 15.5491 11.0067 8.2518 numMergedOcc 0
29 mol 259 unq 1 iso 0 dist 9.54857 5.49348 5.85442 8.06908 6.18571 8.40328 numMergedOcc 0
30 mol 259 unq 2 iso 0 dist 9.54857 5.13138 6.95511 8.06908 6.18571 8.2518 numMergedOcc 0
31 mol 259 unq 3 iso 0 dist 6.42725 6.09466 6.9899 8.79685 12.3834 8.40328 numMergedOcc 0
32 mol 272 unq 0 iso 0 dist 9.64596 3.7218 6.44147 7.38085 4.78295 5.38409 numMergedOcc 0
33 mol 272 unq 1 iso 0 dist 9.64596 3.7218 6.44147 11.6897 8.26567 8.45524 numMergedOcc 0
34 mol 277 unq 0 iso 0 dist 9.77689 17.8399 9.57499 23.9515 16.3552 9.91103 numMergedOcc 0
35 mol 277 unq 1 iso 0 dist 8.51931 6.17642 9.57499 11.7826 16.3552 9.91103 numMergedOcc 0
36 mol 277 unq 2 iso 0 dist 8.96343 6.17642 5.46926 11.7826 10.4297 9.91103 numMergedOcc 0
37 mol 277 unq 3 iso 0 dist 8.96343 8.24206 5.13913 11.7826 10.4297 7.0603 numMergedOcc 0
38 mol 277 unq 4 iso 0 dist 9.29635 12.2421 8.9682 6.70414 5.77904 9.91103 numMergedOcc 0
39 mol 277 unq 5 iso 0 dist 9.29635 10.9521 6.92711 6.70414 5.77904 7.0603 numMergedOcc 0
