0 mol 8 unq 0 iso 0 dist 8.68949 8.89145 13.2274 9.31461 3.84732 11.4855 10.8849 9.42634 18.4744 11.0838 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.68949 6.92865 8.33226 9.31461 3.84732 5.96331 10.8849 9.42634 11.7054 11.0838 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 8.204 8.37503 11.4088 7.88072 3.90342 9.52037 4.83638 9.11745 13.1097 9.63882 numMergedOcc 0
3 mol 30 unq 1 iso 0 dist 8.204 8.37503 11.4088 7.88072 3.90342 9.52037 5.2103 4.62145 10.8573 6.87277 numMergedOcc 0
4 mol 30 unq 2 iso 0 dist 8.204 8.37503 11.4088 7.88072 3.90342 9.52037 14.1481 9.71995 20.1154 11.3258 numMergedOcc 0
5 mol 42 unq 0 iso 0 dist 5.52834 8.52254 4.38082 7.53194 4.62559 3.53534 10.1829 9.39402 10.8878 13.1561 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 9.53081 5.36645 12.299 5.43913 13.4515 3.63758 15.1442 7.90416 18.8726 18.8458 numMergedOcc 0
7 mol 48 unq 1 iso 0 dist 9.53081 5.36645 12.299 5.43913 13.4515 3.63758 4.89976 9.74553 9.3774 10.0937 numMergedOcc 0
8 mol 48 unq 2 iso 0 dist 9.53081 5.36645 12.299 8.26877 17.6258 6.88863 15.1442 7.90416 18.8726 23.1493 numMergedOcc 0
9 mol 48 unq 3 iso 0 dist 9.53081 5.36645 12.299 8.26877 17.6258 6.88863 4.89976 9.74553 9.3774 11.1156 numMergedOcc 0
10 mol 48 unq 4 iso 0 dist 5.06188 8.89758 4.6365 8.10222 6.4561 8.42491 9.57893 9.40291 13.4419 8.14245 numMergedOcc 0
11 mol 48 unq 5 iso 0 dist 5.06188 8.89758 4.6365 8.10222 6.4561 8.42491 7.88988 7.94814 11.4393 4.17933 numMergedOcc 0
12 mol 48 unq 6 iso 0 dist 5.06188 8.89758 4.6365 8.10222 6.4561 8.42491 8.00934 9.55632 12.9043 5.54893 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 7.48127 4.83274 10.6009 5.91098 8.58474 3.69293 11.6853 9.50939 10.985 7.66068 numMergedOcc 0
14 mol 127 unq 0 iso 0 dist 5.83719 6.65963 4.98711 9.64136 11.1718 7.73234 3.75302 8.95465 10.2978 12.5142 numMergedOcc 0
15 mol 127 unq 1 iso 0 dist 5.83719 8.62711 11.2447 9.64136 11.1718 3.97136 3.75302 8.95465 11.0803 12.5142 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 5.40826 7.5984 9.02772 5.33772 3.66518 6.75249 5.80693 9.31435 12.2091 10.8164 numMergedOcc 0
17 mol 143 unq 1 iso 0 dist 5.40826 7.5984 9.02772 5.33772 3.66518 6.75249 5.08025 6.38786 8.99891 4.3855 numMergedOcc 0
18 mol 167 unq 0 iso 0 dist 7.20545 8.58946 4.70374 8.43955 6.87479 6.13061 6.39898 7.20131 6.83528 10.9057 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 6.72718 6.99623 5.25279 9.12589 9.57585 4.42375 8.09407 8.92335 12.2312 15.1018 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 4.36421 7.77535 7.98893 9.53899 13.6384 11.4905 9.91172 9.96715 16.974 16.4793 numMergedOcc 0
21 mol 230 unq 0 iso 0 dist 9.24729 8.33847 12.2372 8.01593 3.86973 10.043 4.45276 9.62914 12.7396 9.47092 numMergedOcc 0
22 mol 230 unq 1 iso 0 dist 9.24729 8.33847 12.2372 8.01593 3.86973 10.043 15.7177 9.73038 21.2191 11.6163 numMergedOcc 0
23 mol 256 unq 0 iso 0 dist 6.45473 7.54586 4.99605 6.33954 5.16057 4.6374 6.51471 9.49634 9.59773 5.58222 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 8.15119 9.84188 10.2486 4.1545 9.21484 13.7583 5.11865 9.07744 9.54359 7.98956 numMergedOcc 0
25 mol 277 unq 1 iso 0 dist 8.15119 9.84188 10.2486 4.25172 10.3506 13.6433 5.11865 9.07744 9.54359 5.86185 numMergedOcc 0
26 mol 277 unq 2 iso 0 dist 8.15119 8.35794 7.94155 4.1545 9.21484 11.8607 5.11865 9.07744 5.69112 7.98956 numMergedOcc 0
27 mol 277 unq 3 iso 0 dist 8.15119 8.35794 7.94155 4.25172 10.3506 10.9137 5.11865 9.07744 5.69112 5.86185 numMergedOcc 0
28 mol 294 unq 0 iso 0 dist 9.22572 8.52208 4.40208 8.32582 7.55679 5.58675 5.13965 8.83359 7.56669 10.4035 numMergedOcc 0
