0 mol 1 unq 0 iso 0 dist 7.21349 7.94669 4.02997 7.90928 9.45781 12.4732 numMergedOcc 0
1 mol 6 unq 0 iso 0 dist 4.81943 9.1305 8.63472 4.56325 4.22842 6.21841 numMergedOcc 0
2 mol 6 unq 1 iso 0 dist 4.81943 9.1305 8.63472 8.06002 5.34599 12.1353 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 7.74131 7.68781 10.0733 9.28803 9.59811 5.74801 numMergedOcc 0
4 mol 123 unq 0 iso 0 dist 8.71274 8.56386 5.8424 6.7201 6.08047 7.32307 numMergedOcc 0
5 mol 123 unq 1 iso 0 dist 8.71274 7.15869 10.835 6.7201 6.08047 8.8027 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 8.64946 9.96416 12.9286 6.73897 6.11049 7.50288 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 8.64946 7.17051 5.57746 6.73897 6.11049 8.01541 numMergedOcc 0
8 mol 133 unq 2 iso 0 dist 8.64946 5.9962 9.5993 6.73897 6.11049 5.31306 numMergedOcc 0
9 mol 155 unq 0 iso 0 dist 6.91762 5.16143 7.64573 8.02593 4.40049 7.00069 numMergedOcc 0
10 mol 163 unq 0 iso 0 dist 7.5447 8.66172 8.52732 8.70104 6.00005 13.2873 numMergedOcc 0
11 mol 163 unq 1 iso 0 dist 7.5447 6.89529 12.8414 8.70104 6.00005 10.4425 numMergedOcc 0
12 mol 163 unq 2 iso 0 dist 9.04757 8.66172 5.84005 8.70104 14.0224 13.2873 numMergedOcc 0
13 mol 163 unq 3 iso 0 dist 9.04757 6.89529 13.739 8.70104 14.0224 10.4425 numMergedOcc 0
14 mol 183 unq 0 iso 0 dist 8.15747 9.15795 14.2931 7.42108 9.54124 14.3873 numMergedOcc 0
15 mol 183 unq 1 iso 0 dist 5.44125 9.15795 6.11741 7.42108 9.81014 14.3873 numMergedOcc 0
16 mol 185 unq 0 iso 0 dist 9.56016 8.2968 8.77077 8.60027 11.0188 4.72576 numMergedOcc 0
17 mol 185 unq 1 iso 0 dist 7.92501 8.2968 10.4047 8.60027 7.3365 4.72576 numMergedOcc 0
18 mol 187 unq 0 iso 0 dist 7.81168 5.82577 8.91643 8.26654 13.0397 8.43209 numMergedOcc 0
19 mol 210 unq 0 iso 0 dist 9.718 5.33103 7.38779 6.87234 10.1799 10.514 numMergedOcc 0
20 mol 210 unq 1 iso 0 dist 9.718 5.33103 7.38779 8.72017 5.48047 8.55471 numMergedOcc 0
21 mol 210 unq 2 iso 0 dist 9.718 9.01301 7.88141 6.87234 10.1799 12.685 numMergedOcc 0
22 mol 210 unq 3 iso 0 dist 9.718 9.01301 7.88141 8.72017 5.48047 11.7269 numMergedOcc 0
23 mol 210 unq 4 iso 0 dist 8.61629 5.33103 8.44804 6.87234 8.05096 10.514 numMergedOcc 0
24 mol 210 unq 5 iso 0 dist 8.61629 5.33103 8.44804 8.72017 6.25356 8.55471 numMergedOcc 0
25 mol 210 unq 6 iso 0 dist 8.61629 9.01301 6.935 6.87234 8.05096 12.685 numMergedOcc 0
26 mol 210 unq 7 iso 0 dist 8.61629 9.01301 6.935 8.72017 6.25356 11.7269 numMergedOcc 0
27 mol 212 unq 0 iso 0 dist 7.53582 9.50782 4.83552 9.15316 6.91212 9.04123 numMergedOcc 0
28 mol 214 unq 0 iso 0 dist 8.80167 7.1951 5.31666 9.39099 16.3761 13.2685 numMergedOcc 0
29 mol 243 unq 0 iso 0 dist 8.28347 7.93817 5.80426 9.46855 4.12468 5.83664 numMergedOcc 0
30 mol 285 unq 0 iso 0 dist 8.12306 5.76796 6.37482 8.96754 10.7671 8.9423 numMergedOcc 0
