0 mol 14 unq 0 iso 0 dist 8.25832 6.45858 5.45641 6.35274 10.6822 8.91266 numMergedOcc 0
1 mol 51 unq 0 iso 0 dist 9.66898 7.12423 12.4834 10.8401 19.603 9.06397 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 4.67917 8.05508 5.29688 6.07398 5.41134 9.05547 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 5.81747 8.05508 12.0007 6.07398 8.61357 9.05547 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 9.84346 9.23023 7.17843 5.00649 12.8556 9.99029 numMergedOcc 0
5 mol 78 unq 1 iso 0 dist 9.46472 9.23023 4.4651 5.00649 10.9449 9.99029 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 8.36326 9.65047 16.7208 15.0981 23.4081 9.40559 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 9.57953 4.99966 8.44658 4.36597 8.1375 7.55805 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 7.84249 7.15985 11.6091 9.87475 16.1307 5.81552 numMergedOcc 0
9 mol 127 unq 0 iso 0 dist 9.16999 9.42513 4.70935 4.42983 8.58317 7.73139 numMergedOcc 0
10 mol 127 unq 1 iso 0 dist 9.16999 9.42513 4.70935 9.88569 10.7936 6.66607 numMergedOcc 0
11 mol 127 unq 2 iso 0 dist 9.16999 9.42513 4.70935 5.88232 5.52891 8.62711 numMergedOcc 0
12 mol 154 unq 0 iso 0 dist 7.10223 6.23399 5.5065 7.10961 7.63904 9.04554 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 6.91762 4.44292 5.01007 7.64573 5.16143 8.66709 numMergedOcc 0
14 mol 163 unq 0 iso 0 dist 9.04757 9.63873 4.12904 13.739 6.89529 6.56115 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 8.59783 6.07091 9.22906 5.24208 6.20851 6.01711 numMergedOcc 0
16 mol 180 unq 0 iso 0 dist 8.39718 7.1027 4.28574 6.40302 10.216 7.08676 numMergedOcc 0
17 mol 185 unq 0 iso 0 dist 9.56016 9.878 8.20407 14.5353 15.1125 9.59096 numMergedOcc 0
18 mol 185 unq 1 iso 0 dist 7.92501 9.878 4.83776 14.5353 9.83898 9.59096 numMergedOcc 0
19 mol 185 unq 2 iso 0 dist 8.27418 9.21149 4.83776 9.5349 9.83898 9.59096 numMergedOcc 0
20 mol 210 unq 0 iso 0 dist 9.718 8.62103 14.2438 14.9127 20.5002 8.07523 numMergedOcc 0
21 mol 210 unq 1 iso 0 dist 9.718 8.62103 14.2438 14.823 21.6432 7.56882 numMergedOcc 0
22 mol 210 unq 2 iso 0 dist 8.61629 8.62103 11.4281 14.9127 16.868 8.07523 numMergedOcc 0
23 mol 210 unq 3 iso 0 dist 8.61629 8.62103 11.4281 14.823 18.5185 7.56882 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 7.82564 9.94315 5.65577 15.8036 13.6194 7.98022 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 9.51177 8.59074 5.65577 12.1988 13.6194 7.98022 numMergedOcc 0
26 mol 238 unq 2 iso 0 dist 9.91136 9.94315 10.5703 15.8036 18.5139 7.98022 numMergedOcc 0
27 mol 256 unq 0 iso 0 dist 7.14598 7.67598 6.4717 6.78978 9.63723 8.43264 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 9.05363 8.06771 10.4985 5.73217 12.4319 6.96379 numMergedOcc 0
