0 mol 48 unq 0 iso 0 dist 8.02004 4.28801 7.78475 3.47529 9.54119 7.17582 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 8.02004 4.28801 7.78475 13.1138 7.87476 10.6665 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 6.35042 7.07335 7.78475 12.4809 9.54119 7.17582 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 6.35042 7.07335 7.78475 4.67004 7.87476 10.6665 numMergedOcc 0
4 mol 48 unq 4 iso 0 dist 7.77714 4.31769 6.99001 3.42062 9.77004 7.06935 numMergedOcc 0
5 mol 48 unq 5 iso 0 dist 7.77714 4.31769 6.99001 13.5492 8.36323 10.6648 numMergedOcc 0
6 mol 48 unq 6 iso 0 dist 6.46118 7.10894 6.99001 12.971 9.77004 7.06935 numMergedOcc 0
7 mol 48 unq 7 iso 0 dist 6.46118 7.10894 6.99001 4.70736 8.36323 10.6648 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 6.89262 4.7391 7.88172 11.6207 9.78668 10.7828 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 6.50646 4.35705 7.88172 6.85539 9.78668 10.7828 numMergedOcc 0
10 mol 63 unq 0 iso 0 dist 7.76044 5.93871 9.22331 6.40052 9.07614 3.23074 numMergedOcc 0
11 mol 68 unq 0 iso 0 dist 8.56412 6.52256 6.34966 4.1086 4.90093 3.99506 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 7.61405 14.8573 7.45801 5.86721 6.8173 12.0718 numMergedOcc 0
13 mol 73 unq 1 iso 0 dist 7.61405 3.99262 5.30477 5.86721 6.8173 4.1846 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 6.77889 4.20676 9.39811 5.906 6.94015 7.16011 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 8.22039 7.84926 9.80549 4.40012 7.43587 5.16197 numMergedOcc 0
16 mol 184 unq 0 iso 0 dist 8.57284 5.2978 5.0207 5.65165 8.98606 6.04545 numMergedOcc 0
17 mol 184 unq 1 iso 0 dist 5.34832 7.00807 5.0207 10.8625 8.98606 6.04545 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 7.9678 4.45301 6.05667 3.95968 5.32465 4.76454 numMergedOcc 0
19 mol 247 unq 0 iso 0 dist 9.69819 5.97116 9.9667 4.21655 9.42253 3.56192 numMergedOcc 0
20 mol 265 unq 0 iso 0 dist 5.14122 4.40079 7.49913 3.99477 6.80043 6.31696 numMergedOcc 0
