0 mol 2 unq 0 iso 0 dist 5.5745 9.10747 6.32102 9.39095 6.81721 10.9872 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 5.5745 9.45683 7.91536 9.39095 6.81721 5.27871 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.46229 8.77074 9.87669 7.84963 10.2545 4.09467 numMergedOcc 0
3 mol 10 unq 0 iso 0 dist 9.07663 5.06897 6.71685 8.44792 9.90599 4.71687 numMergedOcc 0
4 mol 10 unq 1 iso 0 dist 9.07663 5.06897 6.71685 4.94198 6.28462 3.77616 numMergedOcc 0
5 mol 10 unq 2 iso 0 dist 9.07663 5.06897 6.71685 9.62353 12.3985 12.0784 numMergedOcc 0
6 mol 20 unq 0 iso 0 dist 7.11633 9.47968 6.38533 7.6974 10.6981 12.4511 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 9.54519 8.70141 4.33963 8.6586 6.7846 4.21283 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 6.89136 7.53604 7.72339 8.97566 3.98709 5.82859 numMergedOcc 0
9 mol 26 unq 1 iso 0 dist 6.89136 7.53604 7.72339 8.81085 10.394 6.99896 numMergedOcc 0
10 mol 26 unq 2 iso 0 dist 6.89136 8.85591 7.13663 8.97566 3.98709 6.70872 numMergedOcc 0
11 mol 26 unq 3 iso 0 dist 6.89136 8.85591 7.13663 8.81085 10.394 5.47056 numMergedOcc 0
12 mol 26 unq 4 iso 0 dist 6.89136 9.67576 12.6481 8.97566 3.98709 11.2447 numMergedOcc 0
13 mol 26 unq 5 iso 0 dist 6.89136 9.67576 12.6481 8.81085 10.394 4.63716 numMergedOcc 0
14 mol 26 unq 6 iso 0 dist 6.88695 9.70778 16.2725 7.89667 8.39015 12.7914 numMergedOcc 0
15 mol 68 unq 0 iso 0 dist 7.51075 9.33051 12.1447 5.57551 10.6721 5.6858 numMergedOcc 0
16 mol 90 unq 0 iso 0 dist 5.9179 7.86269 8.89062 6.10053 4.79453 4.67883 numMergedOcc 0
17 mol 90 unq 1 iso 0 dist 9.34782 7.86269 10.1287 6.10053 6.34112 4.67883 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 8.4545 8.95651 5.69731 7.29864 11.3522 8.75014 numMergedOcc 0
19 mol 92 unq 1 iso 0 dist 8.4545 8.95651 5.69731 7.7399 12.2908 15.041 numMergedOcc 0
20 mol 92 unq 2 iso 0 dist 7.01176 8.95651 4.14907 7.29864 10.0591 8.75014 numMergedOcc 0
21 mol 92 unq 3 iso 0 dist 7.01176 8.95651 4.14907 7.7399 13.6054 15.041 numMergedOcc 0
22 mol 128 unq 0 iso 0 dist 8.01677 6.17362 4.81686 5.38983 4.48309 4.21194 numMergedOcc 0
23 mol 129 unq 0 iso 0 dist 6.38163 7.56091 5.99437 7.04904 10.3933 11.8978 numMergedOcc 0
24 mol 129 unq 1 iso 0 dist 6.38163 7.56091 5.99437 5.06053 9.27274 9.50767 numMergedOcc 0
25 mol 154 unq 0 iso 0 dist 6.23399 9.2042 6.55507 6.12278 10.3287 14.9051 numMergedOcc 0
26 mol 171 unq 0 iso 0 dist 6.07091 7.68295 5.487 7.06555 10.0225 12.1034 numMergedOcc 0
27 mol 210 unq 0 iso 0 dist 8.62103 7.31388 9.59996 9.49242 9.97638 15.3751 numMergedOcc 0
28 mol 210 unq 1 iso 0 dist 8.62103 7.31388 9.59996 9.25184 4.29623 7.61953 numMergedOcc 0
29 mol 274 unq 0 iso 0 dist 6.55855 7.71972 8.09454 9.82713 4.60007 10.8539 numMergedOcc 0
30 mol 274 unq 1 iso 0 dist 6.55855 9.76049 14.1363 9.82713 4.60007 17.0434 numMergedOcc 0
31 mol 274 unq 2 iso 0 dist 9.52894 7.71972 10.0424 9.82713 10.9558 10.8539 numMergedOcc 0
32 mol 274 unq 3 iso 0 dist 9.52894 9.76049 15.375 9.82713 10.9558 17.0434 numMergedOcc 0
