0 mol 16 unq 0 iso 0 dist 9.15653 9.15471 6.89493 8.59049 5.40044 9.30655 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 4.54428 6.29755 6.36332 6.54183 7.4971 5.58127 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 4.54428 7.4038 4.66088 6.54183 7.4971 5.54544 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 9.63562 4.80247 5.83999 9.77018 14.2307 10.6193 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 7.21554 8.88969 7.43998 7.98444 6.39496 5.03467 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 9.65026 7.77128 13.7899 9.70415 7.15161 16.1373 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 8.24753 9.225 6.81448 8.41567 5.49132 6.80777 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 8.24753 9.225 6.81448 5.56964 6.71804 9.95835 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 7.80347 4.3521 10.386 6.78839 12.3572 4.75433 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 7.80347 4.3521 10.386 8.02354 11.0641 11.5098 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 9.07645 6.67941 5.6484 7.23973 5.5076 4.26125 numMergedOcc 0
11 mol 114 unq 1 iso 0 dist 8.59587 6.67941 5.67723 7.23973 8.6358 4.26125 numMergedOcc 0
12 mol 171 unq 0 iso 0 dist 7.49439 8.42643 9.65072 7.13441 5.45834 5.60928 numMergedOcc 0
13 mol 172 unq 0 iso 0 dist 5.86619 8.56457 7.84368 9.15928 5.78278 6.66731 numMergedOcc 0
14 mol 172 unq 1 iso 0 dist 5.86619 9.21942 7.44836 7.34586 5.82308 12.8236 numMergedOcc 0
15 mol 172 unq 2 iso 0 dist 5.86619 7.44084 7.00723 7.34586 5.82308 5.79462 numMergedOcc 0
16 mol 172 unq 3 iso 0 dist 5.86619 7.77643 11.5134 7.34586 5.82308 8.10512 numMergedOcc 0
17 mol 172 unq 4 iso 0 dist 8.4615 8.56457 10.7644 9.15928 5.25252 6.66731 numMergedOcc 0
18 mol 172 unq 5 iso 0 dist 8.4615 5.28889 7.00723 9.54849 11.5945 10.0276 numMergedOcc 0
19 mol 172 unq 6 iso 0 dist 8.4615 5.28889 7.00723 5.5139 5.82308 5.79462 numMergedOcc 0
20 mol 172 unq 7 iso 0 dist 8.4615 4.90175 11.5134 9.54849 11.5945 10.6482 numMergedOcc 0
21 mol 172 unq 8 iso 0 dist 8.4615 4.90175 11.5134 5.5139 5.82308 8.10512 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 7.71876 9.11823 8.6777 4.851 9.16568 5.97687 numMergedOcc 0
23 mol 241 unq 0 iso 0 dist 9.86427 8.00841 5.4733 8.98668 10.0597 12.7003 numMergedOcc 0
24 mol 250 unq 0 iso 0 dist 9.67318 8.59384 5.55347 7.63152 14.937 15.7949 numMergedOcc 0
25 mol 276 unq 0 iso 0 dist 9.48887 7.01597 11.9652 8.54938 9.3062 5.49958 numMergedOcc 0
