0 mol 20 unq 0 iso 0 dist 8.98326 9.37411 3.21365 9.00405 4.36087 7.47395 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.48944 5.42968 3.67206 4.30555 10.3921 8.25818 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.04448 5.42968 9.24731 4.30555 13.302 8.25818 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.6834 5.42968 11.1587 4.30555 7.7447 8.25818 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 6.09085 7.51631 7.18877 8.24064 8.71074 7.7485 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 9.73435 9.85325 5.36604 10.2533 8.77831 6.79423 numMergedOcc 0
6 mol 116 unq 0 iso 0 dist 8.71812 8.83566 3.43966 6.28158 7.54274 6.55227 numMergedOcc 0
7 mol 128 unq 0 iso 0 dist 6.78833 7.12662 3.58393 9.10228 10.88 7.76123 numMergedOcc 0
8 mol 128 unq 1 iso 0 dist 6.78833 9.38 7.73275 9.10228 10.88 6.08651 numMergedOcc 0
9 mol 128 unq 2 iso 0 dist 6.6014 7.66528 8.3147 10.2523 14.6809 7.76123 numMergedOcc 0
10 mol 128 unq 3 iso 0 dist 6.6014 7.66528 8.3147 5.43682 10.5256 6.08651 numMergedOcc 0
11 mol 128 unq 4 iso 0 dist 8.88633 9.40919 8.3147 11.9584 14.6809 7.76123 numMergedOcc 0
12 mol 128 unq 5 iso 0 dist 8.88633 9.40919 8.3147 7.78871 10.5256 6.08651 numMergedOcc 0
13 mol 169 unq 0 iso 0 dist 9.70796 6.85177 13.7198 5.73931 10.9391 5.10589 numMergedOcc 0
14 mol 169 unq 1 iso 0 dist 9.70796 8.88729 15.5677 5.73931 10.9391 4.63336 numMergedOcc 0
15 mol 169 unq 2 iso 0 dist 8.89822 7.07933 3.59996 12.9917 4.11374 6.96715 numMergedOcc 0
16 mol 193 unq 0 iso 0 dist 5.06367 8.29723 9.3899 14.1573 15.206 8.30069 numMergedOcc 0
17 mol 193 unq 1 iso 0 dist 5.06367 8.29723 9.3899 13.7342 16.2846 8.83551 numMergedOcc 0
18 mol 204 unq 0 iso 0 dist 7.59666 8.47283 8.03752 10.816 12.5711 9.93489 numMergedOcc 0
19 mol 204 unq 1 iso 0 dist 7.59666 8.47283 8.03752 4.27546 10.3857 7.64057 numMergedOcc 0
20 mol 204 unq 2 iso 0 dist 6.51936 8.47283 4.05102 10.816 7.33774 9.93489 numMergedOcc 0
21 mol 204 unq 3 iso 0 dist 6.51936 8.47283 4.05102 4.27546 6.39122 7.64057 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 6.28826 7.93054 4.16963 4.26898 6.50654 7.42759 numMergedOcc 0
23 mol 250 unq 0 iso 0 dist 8.51613 6.83662 8.71644 12.1616 18.1506 9.81716 numMergedOcc 0
24 mol 260 unq 0 iso 0 dist 6.79386 8.90109 12.0831 8.71923 14.1902 7.04263 numMergedOcc 0
25 mol 260 unq 1 iso 0 dist 6.19564 8.90109 9.94995 8.71923 11.5762 7.04263 numMergedOcc 0
26 mol 260 unq 2 iso 0 dist 8.19223 4.54064 9.98348 8.11438 14.2957 7.04263 numMergedOcc 0
27 mol 260 unq 3 iso 0 dist 8.19223 4.54064 9.98348 3.43932 11.2133 6.48099 numMergedOcc 0
28 mol 266 unq 0 iso 0 dist 7.30349 7.96613 13.6742 6.80038 14.0326 7.8598 numMergedOcc 0
29 mol 266 unq 1 iso 0 dist 7.30349 7.96613 13.6742 4.5731 11.6442 7.80711 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 7.88009 8.70774 5.9732 14.9564 13.9096 7.98956 numMergedOcc 0
31 mol 277 unq 1 iso 0 dist 5.80061 8.70774 3.79766 14.9564 11.5963 7.98956 numMergedOcc 0
32 mol 285 unq 0 iso 0 dist 7.12723 5.93983 3.14843 8.32005 4.27826 5.88958 numMergedOcc 0
33 mol 285 unq 1 iso 0 dist 7.12723 5.93983 3.14843 7.07384 5.82074 7.78121 numMergedOcc 0
34 mol 292 unq 0 iso 0 dist 7.48212 8.06614 9.42231 7.34358 13.6757 8.07775 numMergedOcc 0
