0 mol 10 unq 0 iso 0 dist 7.3489 9.09854 5.41302 10.9317 9.1686 14.5233 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 7.3489 9.09854 5.41302 15.2253 8.99402 12.2109 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 9.50382 9.23617 4.20374 8.6541 8.76559 8.59114 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 8.76559 8.59114 4.20374 8.6541 9.50382 9.23617 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 9.30367 7.43154 11.6572 15.0918 6.67079 18.241 numMergedOcc 0
5 mol 55 unq 1 iso 0 dist 6.67079 7.66471 5.41761 15.0918 9.30367 12.761 numMergedOcc 0
6 mol 55 unq 2 iso 0 dist 7.14636 7.66471 9.8912 8.81759 9.53303 15.9903 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 9.27331 8.91206 6.28525 16.6115 8.60363 13.9485 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 8.4438 5.14178 5.7253 11.6681 5.92936 9.68592 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 6.60356 6.14415 6.04919 9.81157 7.11187 12.666 numMergedOcc 0
10 mol 105 unq 0 iso 0 dist 8.80388 5.74652 9.68577 4.40288 8.8689 9.80729 numMergedOcc 0
11 mol 105 unq 1 iso 0 dist 7.28156 5.74652 7.14906 4.40288 9.18139 9.80729 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 7.02969 7.35503 7.99528 4.22711 7.02265 8.79543 numMergedOcc 0
13 mol 112 unq 1 iso 0 dist 7.02969 7.35503 7.99528 10.5302 9.42175 6.48223 numMergedOcc 0
14 mol 112 unq 2 iso 0 dist 7.02265 8.79543 7.99528 4.22711 7.02969 7.35503 numMergedOcc 0
15 mol 112 unq 3 iso 0 dist 7.02265 8.79543 7.99528 9.00066 9.42175 6.48223 numMergedOcc 0
16 mol 112 unq 4 iso 0 dist 9.42175 6.48223 7.99528 10.5302 7.02969 7.35503 numMergedOcc 0
17 mol 112 unq 5 iso 0 dist 9.42175 6.48223 7.99528 9.00066 7.02265 8.79543 numMergedOcc 0
18 mol 130 unq 0 iso 0 dist 7.9663 4.85559 4.79695 5.84182 6.54338 6.87562 numMergedOcc 0
19 mol 130 unq 1 iso 0 dist 7.9663 4.85559 4.79695 13.2888 7.47653 11.6546 numMergedOcc 0
20 mol 130 unq 2 iso 0 dist 6.54338 6.87562 4.79695 5.84182 7.9663 4.85559 numMergedOcc 0
21 mol 130 unq 3 iso 0 dist 6.54338 6.87562 4.79695 8.39466 7.47653 11.6546 numMergedOcc 0
22 mol 130 unq 4 iso 0 dist 9.39135 6.87562 8.11667 8.39466 8.97124 11.6546 numMergedOcc 0
23 mol 152 unq 0 iso 0 dist 7.71277 9.19078 10.4193 9.80549 5.59682 12.5941 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 9.45817 4.97005 10.763 11.2035 6.43585 12.4751 numMergedOcc 0
25 mol 186 unq 1 iso 0 dist 9.45817 7.22 8.60943 11.2035 6.43585 12.3876 numMergedOcc 0
26 mol 186 unq 2 iso 0 dist 9.45817 6.81388 5.66068 11.2035 6.43585 11.0855 numMergedOcc 0
27 mol 218 unq 0 iso 0 dist 8.44004 8.23919 5.18278 6.98423 4.61671 8.71719 numMergedOcc 0
28 mol 261 unq 0 iso 0 dist 9.70222 6.40153 7.25156 6.43452 9.71882 6.20912 numMergedOcc 0
29 mol 261 unq 1 iso 0 dist 9.71882 6.20912 7.25156 6.43452 9.70222 6.40153 numMergedOcc 0
30 mol 266 unq 0 iso 0 dist 9.58577 7.25797 5.75478 4.67106 9.56469 6.03938 numMergedOcc 0
31 mol 266 unq 1 iso 0 dist 9.56469 9.54884 9.00495 4.67106 9.58577 10.5512 numMergedOcc 0
32 mol 266 unq 2 iso 0 dist 9.56469 6.03938 5.75478 4.67106 9.58577 7.25797 numMergedOcc 0
33 mol 266 unq 3 iso 0 dist 8.42706 9.98606 17.6604 6.70676 6.58277 15.2583 numMergedOcc 0
34 mol 266 unq 4 iso 0 dist 8.42706 9.98606 17.6604 16.4476 8.12204 25.7504 numMergedOcc 0
35 mol 279 unq 0 iso 0 dist 5.78017 7.5355 7.91886 6.22487 6.12742 7.88343 numMergedOcc 0
36 mol 279 unq 1 iso 0 dist 6.12742 7.88343 7.91886 6.22487 5.78017 7.5355 numMergedOcc 0
37 mol 282 unq 0 iso 0 dist 8.61456 6.91282 6.85098 5.92133 8.41041 5.51953 numMergedOcc 0
38 mol 282 unq 1 iso 0 dist 8.41041 5.51953 6.85098 5.92133 8.61456 6.91282 numMergedOcc 0
39 mol 285 unq 0 iso 0 dist 8.63954 7.06878 11.6511 14.0446 7.97209 19.0109 numMergedOcc 0
40 mol 287 unq 0 iso 0 dist 4.49185 6.53393 5.97691 4.88833 7.22938 11.0635 numMergedOcc 0
41 mol 287 unq 1 iso 0 dist 4.49185 6.53393 5.97691 9.86126 9.94176 15.1591 numMergedOcc 0
42 mol 288 unq 0 iso 0 dist 4.49185 6.53393 5.97691 4.88833 7.22938 11.0635 numMergedOcc 0
43 mol 288 unq 1 iso 0 dist 4.49185 6.53393 5.97691 9.86126 9.94176 15.1591 numMergedOcc 0
44 mol 289 unq 0 iso 0 dist 4.49185 6.53393 5.97691 4.88833 7.22938 11.0635 numMergedOcc 0
45 mol 289 unq 1 iso 0 dist 4.49185 6.53393 5.97691 9.86126 9.94176 15.1591 numMergedOcc 0
