0 mol 14 unq 0 iso 0 dist 8.25832 6.45858 5.45641 6.35274 10.6822 8.91266 4.05028 6.87018 6.38364 4.15151 numMergedOcc 0
1 mol 51 unq 0 iso 0 dist 9.66898 7.12423 12.4834 10.8401 19.603 9.06397 13.6102 18.8646 9.0709 12.8917 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 4.67917 8.05508 5.29688 6.07398 5.41134 9.05547 5.34079 6.65344 6.85766 6.34748 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 5.81747 8.05508 12.0007 6.07398 8.61357 9.05547 5.34079 10.9882 6.85766 6.34748 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 8.36326 9.65047 16.7208 15.0981 23.4081 9.40559 5.33325 12.146 7.27724 13.018 numMergedOcc 0
5 mol 95 unq 1 iso 0 dist 8.36326 9.65047 16.7208 15.0981 23.4081 9.40559 5.69671 12.7234 8.03644 11.8978 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 7.84249 7.15985 11.6091 9.87475 16.1307 5.81552 6.68714 13.5949 9.60462 10.626 numMergedOcc 0
7 mol 112 unq 1 iso 0 dist 7.84249 7.15985 11.6091 9.87475 16.1307 5.81552 6.71889 14.2434 7.45389 5.27363 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 9.16999 9.42513 4.70935 4.42983 8.58317 7.73139 8.60326 9.8685 9.30299 11.0785 numMergedOcc 0
9 mol 127 unq 1 iso 0 dist 9.16999 9.42513 4.70935 9.88569 10.7936 6.66607 8.60326 9.8685 9.30299 8.89539 numMergedOcc 0
10 mol 127 unq 2 iso 0 dist 9.16999 9.42513 4.70935 5.88232 5.52891 8.62711 8.60326 9.8685 9.30299 10.345 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 9.718 8.62103 14.2438 14.9127 20.5002 8.07523 3.84723 11.8313 6.18308 13.3929 numMergedOcc 0
12 mol 210 unq 1 iso 0 dist 9.718 8.62103 14.2438 14.823 21.6432 7.56882 3.84723 11.8313 6.18308 12.3088 numMergedOcc 0
13 mol 210 unq 2 iso 0 dist 8.61629 8.62103 11.4281 14.9127 16.868 8.07523 3.84723 10.4825 6.18308 13.3929 numMergedOcc 0
14 mol 210 unq 3 iso 0 dist 8.61629 8.62103 11.4281 14.823 18.5185 7.56882 3.84723 10.4825 6.18308 12.3088 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 7.82564 9.94315 5.65577 15.8036 13.6194 7.98022 12.521 10.2894 5.72887 6.3873 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 9.51177 8.59074 5.65577 12.1988 13.6194 7.98022 9.18011 10.2894 5.72887 6.3873 numMergedOcc 0
17 mol 238 unq 2 iso 0 dist 9.91136 9.94315 10.5703 15.8036 18.5139 7.98022 12.521 14.3542 5.72887 6.3873 numMergedOcc 0
18 mol 256 unq 0 iso 0 dist 7.14598 7.67598 6.4717 6.78978 9.63723 8.43264 8.99993 12.8383 8.29103 6.19628 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 9.05363 8.06771 10.4985 5.73217 12.4319 6.96379 6.64729 5.90645 8.13497 10.908 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 9.05363 8.06771 10.4985 5.73217 12.4319 6.96379 9.79538 9.73107 7.88519 12.7595 numMergedOcc 0
