0 mol 59 unq 0 iso 0 dist 4.67917 5.41134 6.07398 5.29688 8.05508 9.05547 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 4.67917 5.41134 6.07398 11.0325 9.00229 14.8588 numMergedOcc 0
2 mol 59 unq 2 iso 0 dist 4.67917 9.23605 11.9466 5.29688 8.05508 12.9592 numMergedOcc 0
3 mol 59 unq 3 iso 0 dist 4.67917 9.23605 11.9466 11.0325 9.00229 19.8865 numMergedOcc 0
4 mol 59 unq 4 iso 0 dist 5.81747 8.61357 6.07398 12.0007 8.05508 9.05547 numMergedOcc 0
5 mol 59 unq 5 iso 0 dist 5.81747 8.61357 6.07398 10.9658 9.00229 14.8588 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 9.57953 8.1375 4.36597 8.44658 4.99966 7.55805 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 9.16999 8.58317 4.42983 4.70935 9.42513 7.73139 numMergedOcc 0
8 mol 127 unq 1 iso 0 dist 9.16999 5.52891 5.88232 4.70935 9.42513 8.62711 numMergedOcc 0
9 mol 132 unq 0 iso 0 dist 8.883 9.00166 16.0548 13.3474 8.25314 21.9562 numMergedOcc 0
10 mol 132 unq 1 iso 0 dist 8.883 7.16287 7.68244 13.3474 8.25314 12.118 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 7.12336 4.69402 6.49614 6.26797 9.50322 10.4155 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 7.12336 4.69402 6.49614 9.73435 5.82404 11.4588 numMergedOcc 0
13 mol 154 unq 0 iso 0 dist 7.10223 7.63904 7.10961 5.5065 6.23399 9.04554 numMergedOcc 0
14 mol 155 unq 0 iso 0 dist 6.91762 5.16143 7.64573 5.01007 4.44292 8.66709 numMergedOcc 0
15 mol 163 unq 0 iso 0 dist 9.04757 8.66172 5.84005 4.12904 9.63873 10.4941 numMergedOcc 0
16 mol 163 unq 1 iso 0 dist 9.04757 6.89529 13.739 4.12904 9.63873 6.56115 numMergedOcc 0
17 mol 171 unq 0 iso 0 dist 8.59783 6.20851 5.24208 9.22906 6.07091 6.01711 numMergedOcc 0
18 mol 183 unq 0 iso 0 dist 5.44125 9.15795 6.11741 4.81807 5.83071 10.7436 numMergedOcc 0
19 mol 183 unq 1 iso 0 dist 5.44125 9.15795 6.11741 10.0008 7.07224 10.2335 numMergedOcc 0
20 mol 183 unq 2 iso 0 dist 5.44125 9.15795 6.11741 11.2316 9.82101 15.3949 numMergedOcc 0
21 mol 183 unq 3 iso 0 dist 7.11505 8.72128 6.11741 5.92045 5.83071 10.7436 numMergedOcc 0
22 mol 183 unq 4 iso 0 dist 7.11505 8.72128 6.11741 9.95614 7.07224 10.2335 numMergedOcc 0
23 mol 183 unq 5 iso 0 dist 7.11505 8.72128 6.11741 12.9864 9.82101 15.3949 numMergedOcc 0
24 mol 185 unq 0 iso 0 dist 7.92501 9.83898 14.5353 4.83776 9.878 9.59096 numMergedOcc 0
25 mol 185 unq 1 iso 0 dist 8.27418 9.83898 9.5349 4.83776 9.21149 9.59096 numMergedOcc 0
26 mol 249 unq 0 iso 0 dist 6.40339 5.96492 5.4063 9.9244 6.37672 10.516 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 8.37512 9.52903 11.3847 8.27707 9.59174 14.8019 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 7.34794 8.06908 6.92619 10.0253 9.12507 14.9752 numMergedOcc 0
29 mol 266 unq 0 iso 0 dist 5.43053 7.66705 5.01049 4.38226 8.12852 10.3469 numMergedOcc 0
