0 mol 1 unq 0 iso 0 dist 8.3673 5.84337 6.86701 12.6995 7.27254 12.7486 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.21762 12.9926 6.24711 4.82952 9.58596 14.0576 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.76815 11.0447 9.8703 14.6061 8.05514 8.53692 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 8.76815 5.4779 7.39665 14.6061 8.05514 15.0902 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 9.54537 14.437 7.51139 8.37373 8.72458 9.14315 numMergedOcc 0
5 mol 88 unq 1 iso 0 dist 9.54537 4.31214 7.80898 8.37373 8.72458 5.31226 numMergedOcc 0
6 mol 89 unq 0 iso 0 dist 8.54514 5.73599 8.40422 12.4365 6.65534 8.79802 numMergedOcc 0
7 mol 89 unq 1 iso 0 dist 8.54514 10.3618 8.40425 12.4365 6.65534 5.88324 numMergedOcc 0
8 mol 89 unq 2 iso 0 dist 8.54514 12.1722 7.47974 12.4365 6.65534 6.52312 numMergedOcc 0
9 mol 89 unq 3 iso 0 dist 8.54514 7.8379 5.51831 12.4365 6.65534 6.60299 numMergedOcc 0
10 mol 89 unq 4 iso 0 dist 8.54514 10.8901 9.65149 12.4365 6.65534 6.30713 numMergedOcc 0
11 mol 105 unq 0 iso 0 dist 7.85265 9.7247 9.16718 6.12199 7.44838 7.33596 numMergedOcc 0
12 mol 105 unq 1 iso 0 dist 7.85265 6.37983 7.94633 6.12199 7.44838 8.22667 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 8.59002 10.2526 7.7988 13.4317 7.34602 7.83771 numMergedOcc 0
14 mol 112 unq 1 iso 0 dist 8.59002 12.1073 9.40824 13.4317 7.34602 11.4843 numMergedOcc 0
15 mol 112 unq 2 iso 0 dist 8.59002 6.7184 4.22363 13.4317 7.34602 9.97869 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 9.11877 6.99924 5.37047 11.6394 8.612 9.23795 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 9.77567 5.29694 6.59889 9.29952 7.1069 7.2238 numMergedOcc 0
18 mol 152 unq 1 iso 0 dist 9.77567 12.1481 6.70693 9.29952 7.1069 5.59336 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 9.06892 10.0163 6.74196 12.1295 7.97027 6.42798 numMergedOcc 0
20 mol 222 unq 1 iso 0 dist 8.54373 10.362 8.36842 4.72931 4.9876 6.42798 numMergedOcc 0
21 mol 225 unq 0 iso 0 dist 6.20862 4.72643 8.1945 15.7867 9.57955 17.0241 numMergedOcc 0
22 mol 225 unq 1 iso 0 dist 6.20862 4.72643 8.1945 12.4669 9.87668 16.6392 numMergedOcc 0
23 mol 225 unq 2 iso 0 dist 6.20862 9.6289 6.50998 15.7867 9.57955 10.6484 numMergedOcc 0
24 mol 225 unq 3 iso 0 dist 6.20862 9.6289 6.50998 12.4669 9.87668 4.76151 numMergedOcc 0
25 mol 225 unq 4 iso 0 dist 7.27888 15.1562 8.1945 5.35117 9.57955 17.0241 numMergedOcc 0
26 mol 225 unq 5 iso 0 dist 7.27888 15.1562 8.1945 8.78638 9.87668 16.6392 numMergedOcc 0
27 mol 225 unq 6 iso 0 dist 7.27888 5.92569 6.50998 5.35117 9.57955 10.6484 numMergedOcc 0
28 mol 225 unq 7 iso 0 dist 7.27888 5.92569 6.50998 8.78638 9.87668 4.76151 numMergedOcc 0
29 mol 225 unq 8 iso 0 dist 9.0254 5.92569 9.09424 5.35117 8.79277 10.6484 numMergedOcc 0
30 mol 225 unq 9 iso 0 dist 9.0254 5.92569 9.09424 8.78638 8.42121 4.76151 numMergedOcc 0
31 mol 225 unq 10 iso 0 dist 4.58113 6.87089 8.14831 5.26836 8.69811 6.18042 numMergedOcc 0
32 mol 225 unq 11 iso 0 dist 4.58113 6.87089 8.14831 6.63243 4.98402 4.76151 numMergedOcc 0
