0 mol 12 unq 0 iso 0 dist 5.76006 5.25583 4.86727 4.12573 4.49007 6.6691 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 7.88087 8.34763 8.00875 4.93307 6.69002 5.99176 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 7.88087 5.66008 8.9954 4.93307 6.69002 6.98583 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 7.77714 7.99735 5.41488 4.31769 6.99001 8.82709 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 6.46118 9.7516 5.41488 7.10894 6.99001 8.82709 numMergedOcc 0
5 mol 124 unq 0 iso 0 dist 5.69775 8.45451 5.26643 4.31676 8.18186 9.5436 numMergedOcc 0
6 mol 181 unq 0 iso 0 dist 9.02183 7.90753 5.15002 6.04759 6.66608 8.77781 numMergedOcc 0
7 mol 184 unq 0 iso 0 dist 5.34832 9.77271 8.78766 7.00807 5.0207 12.0267 numMergedOcc 0
8 mol 189 unq 0 iso 0 dist 9.57128 9.46859 8.03657 11.0891 9.71563 14.4543 numMergedOcc 0
9 mol 192 unq 0 iso 0 dist 7.74423 8.27545 5.21255 7.82232 8.96522 12.827 numMergedOcc 0
10 mol 192 unq 1 iso 0 dist 7.74423 8.27545 5.21255 5.97774 7.04366 8.29166 numMergedOcc 0
11 mol 192 unq 2 iso 0 dist 7.74423 8.27545 5.21255 11.5774 9.99783 5.62421 numMergedOcc 0
12 mol 210 unq 0 iso 0 dist 8.14413 5.89811 5.02037 15.9012 8.87054 13.86 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 8.68353 9.92336 3.24077 13.5468 6.88259 9.19001 numMergedOcc 0
14 mol 233 unq 0 iso 0 dist 9.99681 9.46821 5.91711 6.3638 9.82733 12.1117 numMergedOcc 0
15 mol 233 unq 1 iso 0 dist 9.89626 8.52401 5.91711 6.52401 9.82733 12.1117 numMergedOcc 0
16 mol 247 unq 0 iso 0 dist 9.69819 9.1776 6.27569 5.97116 9.9667 10.3942 numMergedOcc 0
17 mol 256 unq 0 iso 0 dist 7.56605 9.63091 6.4986 7.37784 8.56128 14.0427 numMergedOcc 0
18 mol 294 unq 0 iso 0 dist 7.6859 9.83567 11.0143 10.5335 6.1268 16.881 numMergedOcc 0
19 mol 294 unq 1 iso 0 dist 7.6859 9.49433 15.219 10.5335 6.1268 19.5189 numMergedOcc 0
