0 mol 6 unq 0 iso 0 dist 8.36949 6.58426 8.8273 5.64998 9.88195 7.35849 numMergedOcc 0
1 mol 6 unq 0 iso 1 dist 8.8273 6.58426 8.36949 7.35849 9.88195 5.64998 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 8.70005 13.0423 9.83168 4.76269 9.90968 11.7157 numMergedOcc 0
3 mol 28 unq 0 iso 1 dist 9.83168 13.0423 8.70005 11.7157 9.90968 4.76269 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 7.26246 11.7765 8.6728 4.75231 6.87293 14.3012 numMergedOcc 0
5 mol 98 unq 0 iso 1 dist 8.6728 11.7765 7.26246 14.3012 6.87293 4.75231 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 9.17909 15.3111 9.37708 11.6501 9.45513 6.25175 numMergedOcc 0
7 mol 112 unq 0 iso 1 dist 9.37708 15.3111 9.17909 6.25175 9.45513 11.6501 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 8.26291 13.7304 7.86001 10.0626 6.00391 9.84637 numMergedOcc 0
9 mol 130 unq 0 iso 1 dist 7.86001 13.7304 8.26291 9.84637 6.00391 10.0626 numMergedOcc 0
10 mol 130 unq 1 iso 0 dist 8.26291 13.7304 7.86001 8.28869 9.70695 10.3345 numMergedOcc 0
11 mol 130 unq 1 iso 1 dist 7.86001 13.7304 8.26291 10.3345 9.70695 8.28869 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 8.21112 4.4482 7.06533 12.3793 9.69941 13.5692 numMergedOcc 0
13 mol 205 unq 0 iso 1 dist 7.06533 4.4482 8.21112 13.5692 9.69941 12.3793 numMergedOcc 0
14 mol 205 unq 1 iso 0 dist 8.21112 11.1418 5.94835 12.3793 9.69941 5.61877 numMergedOcc 0
15 mol 205 unq 1 iso 1 dist 5.94835 11.1418 8.21112 5.61877 9.69941 12.3793 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 7.06533 10.4273 5.94835 13.5692 9.69941 5.61877 numMergedOcc 0
17 mol 205 unq 1 iso 1 dist 5.94835 10.4273 7.06533 5.61877 9.69941 13.5692 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 7.80496 9.83283 8.75468 14.635 9.99265 13.1205 numMergedOcc 0
19 mol 220 unq 0 iso 1 dist 8.75468 9.83283 7.80496 13.1205 9.99265 14.635 numMergedOcc 0
20 mol 220 unq 1 iso 0 dist 7.80496 11.1254 8.60479 14.635 9.99265 6.62977 numMergedOcc 0
21 mol 220 unq 1 iso 1 dist 8.60479 11.1254 7.80496 6.62977 9.99265 14.635 numMergedOcc 0
22 mol 220 unq 1 iso 0 dist 8.75468 7.23892 8.60479 13.1205 9.99265 6.62977 numMergedOcc 0
23 mol 220 unq 1 iso 1 dist 8.60479 7.23892 8.75468 6.62977 9.99265 13.1205 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 8.38727 5.37654 6.6731 11.6244 9.79042 6.42779 numMergedOcc 0
25 mol 259 unq 0 iso 1 dist 6.6731 5.37654 8.38727 6.42779 9.79042 11.6244 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 8.38727 14.3705 9.83696 11.6244 9.79042 4.64954 numMergedOcc 0
27 mol 259 unq 1 iso 1 dist 9.83696 14.3705 8.38727 4.64954 9.79042 11.6244 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 6.6731 9.5552 9.83696 6.42779 9.79042 4.64954 numMergedOcc 0
29 mol 259 unq 1 iso 1 dist 9.83696 9.5552 6.6731 4.64954 9.79042 6.42779 numMergedOcc 0
30 mol 261 unq 0 iso 0 dist 9.56414 9.90349 9.64886 11.6193 9.50269 14.0506 numMergedOcc 0
31 mol 261 unq 0 iso 1 dist 9.64886 9.90349 9.56414 14.0506 9.50269 11.6193 numMergedOcc 0
32 mol 279 unq 0 iso 0 dist 8.87355 7.00034 8.18179 4.07526 9.77593 10.7449 numMergedOcc 0
33 mol 279 unq 0 iso 1 dist 8.18179 7.00034 8.87355 10.7449 9.77593 4.07526 numMergedOcc 0
34 mol 279 unq 1 iso 0 dist 8.87355 7.00034 8.18179 6.45021 8.85972 7.26242 numMergedOcc 0
35 mol 279 unq 1 iso 1 dist 8.18179 7.00034 8.87355 7.26242 8.85972 6.45021 numMergedOcc 0
36 mol 279 unq 2 iso 0 dist 8.87355 9.39866 9.51355 4.07526 9.77593 12.552 numMergedOcc 0
37 mol 279 unq 2 iso 1 dist 9.51355 9.39866 8.87355 12.552 9.77593 4.07526 numMergedOcc 0
38 mol 279 unq 3 iso 0 dist 8.87355 9.39866 9.51355 6.45021 8.85972 5.08267 numMergedOcc 0
39 mol 279 unq 3 iso 1 dist 9.51355 9.39866 8.87355 5.08267 8.85972 6.45021 numMergedOcc 0
40 mol 279 unq 2 iso 0 dist 8.18179 5.38839 9.51355 10.7449 9.77593 12.552 numMergedOcc 0
41 mol 279 unq 2 iso 1 dist 9.51355 5.38839 8.18179 12.552 9.77593 10.7449 numMergedOcc 0
42 mol 279 unq 3 iso 0 dist 8.18179 5.38839 9.51355 7.26242 8.85972 5.08267 numMergedOcc 0
43 mol 279 unq 3 iso 1 dist 9.51355 5.38839 8.18179 5.08267 8.85972 7.26242 numMergedOcc 0
