0 mol 1 unq 0 iso 0 dist 7.94669 6.4181 8.34833 4.93091 6.69458 10.1151 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 7.10635 5.41493 8.85978 3.97934 8.45859 8.53882 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 5.41134 6.65344 6.34748 5.96516 8.185 12.3053 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 8.61357 9.59244 7.43198 7.53537 8.185 11.095 numMergedOcc 0
4 mol 59 unq 2 iso 0 dist 9.23605 6.65344 13.0793 5.96516 6.68153 12.3053 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 9.65672 8.1599 10.894 10.6356 7.61377 15.8402 numMergedOcc 0
6 mol 63 unq 0 iso 0 dist 9.1662 8.94945 7.01367 14.4144 7.85738 14.1314 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 5.73908 7.51075 13.0823 7.27578 5.26566 13.5465 numMergedOcc 0
8 mol 68 unq 1 iso 0 dist 5.73908 7.51075 13.0823 5.66182 6.27118 11.8668 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 7.21809 8.91902 9.27886 3.65947 9.38568 12.4202 numMergedOcc 0
10 mol 69 unq 1 iso 0 dist 5.69055 5.47319 7.76775 9.48385 9.38568 14.2205 numMergedOcc 0
11 mol 69 unq 2 iso 0 dist 5.69055 9.8809 13.1847 9.48385 9.38568 18.8082 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 8.09675 8.67532 6.97502 11.1342 9.85386 15.8501 numMergedOcc 0
13 mol 73 unq 1 iso 0 dist 8.09675 8.67532 6.97502 8.22845 4.8983 8.62079 numMergedOcc 0
14 mol 88 unq 0 iso 0 dist 5.74637 7.74197 13.1838 4.56066 5.6516 10.7263 numMergedOcc 0
15 mol 88 unq 1 iso 0 dist 5.74637 7.86537 12.6939 4.56066 5.6516 12.2051 numMergedOcc 0
16 mol 88 unq 2 iso 0 dist 5.74637 6.35462 6.63027 4.56066 5.6516 7.74064 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 7.13958 9.28278 4.80675 3.54691 4.4077 7.97548 numMergedOcc 0
18 mol 129 unq 1 iso 0 dist 7.13958 9.28278 4.80675 5.56761 8.4874 9.64164 numMergedOcc 0
19 mol 129 unq 2 iso 0 dist 7.13958 8.78082 7.01358 3.54691 4.4077 7.32151 numMergedOcc 0
20 mol 129 unq 3 iso 0 dist 7.13958 8.78082 7.01358 5.56761 8.4874 13.0781 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 4.69402 5.86531 6.25005 5.56456 6.67937 10.3827 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 7.7013 8.58906 5.52686 3.47137 8.06007 9.32259 numMergedOcc 0
23 mol 185 unq 0 iso 0 dist 8.2968 9.878 10.3307 5.80135 9.61525 12.7881 numMergedOcc 0
24 mol 272 unq 0 iso 0 dist 7.38085 9.64596 4.78295 3.64298 9.87477 11.7109 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 6.28023 9.09967 5.7574 7.72539 8.67957 13.0817 numMergedOcc 0
26 mol 274 unq 1 iso 0 dist 6.28023 8.49076 7.23876 7.72539 8.67957 8.12739 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 6.70414 9.29635 5.77904 7.31817 4.1545 4.9764 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 6.70414 9.29635 5.77904 3.91224 4.25172 6.36559 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 7.47179 7.26542 5.10722 5.42266 8.73403 9.76232 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 7.47179 7.26542 5.10722 5.42266 8.73403 9.76232 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 7.47179 7.26542 5.10722 5.42266 8.73403 9.76232 numMergedOcc 0
32 mol 293 unq 0 iso 0 dist 6.97887 9.55282 5.67215 5.93756 7.15948 12.2975 numMergedOcc 0
33 mol 293 unq 1 iso 0 dist 6.97887 6.27435 11.4201 5.93756 7.15948 12.108 numMergedOcc 0
34 mol 293 unq 2 iso 0 dist 4.66962 9.55282 8.36783 5.93756 6.52792 12.2975 numMergedOcc 0
35 mol 293 unq 3 iso 0 dist 4.66962 6.27435 9.51167 5.93756 6.52792 12.108 numMergedOcc 0
