0 mol 56 unq 0 iso 0 dist 7.6585 11.6619 6.80741 20.896 14.8094 9.2898 numMergedOcc 0
1 mol 56 unq 1 iso 0 dist 8.79531 6.39417 6.80741 14.8415 14.8094 9.2898 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 8.12417 5.78551 6.83992 11.1788 4.74638 8.13108 numMergedOcc 0
3 mol 89 unq 0 iso 0 dist 7.61813 5.73599 9.58625 8.54514 3.30729 8.40422 numMergedOcc 0
4 mol 89 unq 1 iso 0 dist 7.61813 7.8379 6.36021 8.54514 3.30729 5.51831 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 8.41492 13.2932 8.21889 16.9304 10.4255 6.29161 numMergedOcc 0
6 mol 109 unq 1 iso 0 dist 8.41492 13.2932 8.21889 21.0066 14.5244 7.86666 numMergedOcc 0
7 mol 117 unq 0 iso 0 dist 5.98822 7.16387 7.70533 9.57343 6.66127 6.10127 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 6.00571 13.0804 8.40046 17.6621 12.1959 6.08673 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.63478 4.28997 9.4473 8.25027 12.9426 7.22643 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 6.53428 5.29694 8.89982 9.77567 9.0696 6.59889 numMergedOcc 0
11 mol 152 unq 1 iso 0 dist 6.53428 5.29694 8.89982 12.0236 9.83062 8.9192 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 9.09314 6.94835 8.39425 8.87401 4.7404 9.20104 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 9.09314 6.94835 8.39425 12.6146 5.11711 9.58404 numMergedOcc 0
14 mol 220 unq 2 iso 0 dist 9.03904 7.36035 8.39425 8.86035 4.7404 9.20104 numMergedOcc 0
15 mol 220 unq 3 iso 0 dist 9.03904 7.36035 8.39425 5.83372 5.11711 9.58404 numMergedOcc 0
16 mol 257 unq 0 iso 0 dist 9.77089 10.3792 5.36776 18.9789 11.9011 8.83833 numMergedOcc 0
17 mol 274 unq 0 iso 0 dist 8.54272 10.1263 6.00877 16.9411 15.2854 9.30212 numMergedOcc 0
18 mol 274 unq 1 iso 0 dist 8.54272 10.1263 6.00877 12.3148 5.9397 6.4611 numMergedOcc 0
19 mol 274 unq 2 iso 0 dist 9.43429 10.1263 8.66451 16.9411 16.784 9.30212 numMergedOcc 0
20 mol 274 unq 3 iso 0 dist 9.43429 10.1263 8.66451 12.3148 4.89003 6.4611 numMergedOcc 0
21 mol 285 unq 0 iso 0 dist 9.0062 5.23192 8.71213 11.9915 13.9922 7.80862 numMergedOcc 0
22 mol 285 unq 1 iso 0 dist 8.72607 9.00041 8.71213 15.0978 13.9922 7.80862 numMergedOcc 0
