0 mol 7 unq 0 iso 0 dist 6.10226 8.88982 5.70161 4.24307 5.77374 9.8603 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.80034 8.88982 4.57188 4.24307 8.57437 9.8603 numMergedOcc 0
2 mol 13 unq 0 iso 0 dist 6.6621 9.92193 9.7299 6.48985 5.4424 10.4319 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 7.75901 9.28346 5.17518 4.41825 8.64082 9.44073 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 9.77304 6.91417 4.70362 4.23182 9.83906 8.86252 numMergedOcc 0
5 mol 108 unq 0 iso 0 dist 8.84888 5.45787 12.692 15.0248 9.82453 20.2645 numMergedOcc 0
6 mol 110 unq 0 iso 0 dist 7.67702 7.2461 12.3557 9.62408 6.70591 16.4838 numMergedOcc 0
7 mol 110 unq 1 iso 0 dist 7.67702 7.2461 12.3557 10.5488 5.43052 16.235 numMergedOcc 0
8 mol 110 unq 2 iso 0 dist 7.67702 9.26333 11.0242 9.62408 6.70591 16.7091 numMergedOcc 0
9 mol 110 unq 3 iso 0 dist 7.67702 9.26333 11.0242 10.5488 5.43052 15.5526 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 5.38954 9.60425 6.29427 8.64874 6.81489 12.479 numMergedOcc 0
11 mol 127 unq 0 iso 0 dist 9.78409 8.09965 9.75166 11.8683 8.88979 13.6355 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 9.18505 8.94909 6.73114 6.45157 8.63817 5.86531 numMergedOcc 0
13 mol 196 unq 0 iso 0 dist 6.51568 4.97115 9.47778 9.19308 7.42783 12.6715 numMergedOcc 0
14 mol 196 unq 1 iso 0 dist 6.51568 9.45804 9.64101 9.19308 7.42783 16.2145 numMergedOcc 0
15 mol 196 unq 2 iso 0 dist 6.51568 9.8486 9.16184 9.19308 7.42783 13.3788 numMergedOcc 0
16 mol 196 unq 3 iso 0 dist 6.51568 7.23126 12.5715 9.19308 7.42783 13.6121 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 7.9678 6.04106 6.4623 7.44958 6.09754 9.90206 numMergedOcc 0
18 mol 217 unq 0 iso 0 dist 9.62606 7.52229 5.42652 14.9659 8.79299 13.0482 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 8.98518 9.23844 6.80494 10.1177 8.65696 14.2312 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 9.5831 4.91961 6.16697 5.55026 9.36753 7.86368 numMergedOcc 0
21 mol 234 unq 1 iso 0 dist 9.5831 7.14333 16.1011 5.55026 9.36753 11.8838 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 6.86905 6.51823 7.22173 8.46302 8.20243 13.4809 numMergedOcc 0
23 mol 252 unq 0 iso 0 dist 9.67923 7.58175 4.98533 5.51625 8.63848 6.1197 numMergedOcc 0
24 mol 257 unq 0 iso 0 dist 8.42116 8.95261 5.86413 12.2428 9.02271 12.0446 numMergedOcc 0
25 mol 257 unq 1 iso 0 dist 8.53984 7.80336 5.86413 9.93273 9.02271 12.0446 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 8.87598 5.29682 6.59107 6.00285 5.45793 5.90645 numMergedOcc 0
27 mol 259 unq 1 iso 0 dist 8.87598 6.20344 11.1778 6.00285 5.45793 9.73107 numMergedOcc 0
28 mol 259 unq 2 iso 0 dist 8.13376 8.69345 14.41 11.3955 7.97113 14.3063 numMergedOcc 0
29 mol 259 unq 3 iso 0 dist 8.13376 8.69345 14.41 9.8442 8.38479 14.8493 numMergedOcc 0
30 mol 265 unq 0 iso 0 dist 5.14122 8.59825 7.8929 9.76011 6.98812 14.6396 numMergedOcc 0
31 mol 265 unq 1 iso 0 dist 5.14122 7.83102 5.56416 9.76011 6.98812 7.04833 numMergedOcc 0
32 mol 283 unq 0 iso 0 dist 5.78449 9.21922 6.25168 3.85698 8.80555 10.391 numMergedOcc 0
33 mol 283 unq 1 iso 0 dist 5.78449 9.21922 6.25168 7.85589 8.80418 11.5369 numMergedOcc 0
34 mol 292 unq 0 iso 0 dist 8.45634 8.99442 13.9754 4.09108 8.92332 5.75596 numMergedOcc 0
