0 mol 25 unq 0 iso 0 dist 9.86224 16.5113 6.85556 17.7479 9.62401 5.09159 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 6.19304 11.7888 7.99969 5.28639 4.62858 6.68431 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 9.20373 15.0205 6.14538 12.6895 6.30987 5.06052 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 5.67362 5.46309 9.25641 7.64232 7.46994 5.94559 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 9.67641 7.70042 9.49144 17.4457 9.0008 13.2018 numMergedOcc 0
5 mol 67 unq 1 iso 0 dist 9.67641 7.70042 9.49144 12.5728 9.77887 5.59327 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 8.48678 13.9683 6.7117 10.1356 6.0129 8.70415 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 8.48678 11.0642 4.47349 10.1356 6.0129 10.0962 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 8.48678 7.71768 5.65185 10.1356 6.0129 11.2452 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 5.43662 5.29825 8.70296 5.545 9.2235 7.90484 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.93309 10.4303 9.22232 14.3323 8.21165 12.0863 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 5.24709 7.11513 9.14926 11.7526 8.84087 14.0712 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 5.24709 7.11513 9.14926 10.8306 6.32615 11.9684 numMergedOcc 0
13 mol 134 unq 2 iso 0 dist 5.24709 7.11513 9.14926 10.1184 7.73791 9.05089 numMergedOcc 0
14 mol 134 unq 3 iso 0 dist 5.24709 7.11513 9.14926 5.73959 6.75145 5.37476 numMergedOcc 0
15 mol 134 unq 4 iso 0 dist 5.24709 7.11513 9.14926 7.28943 8.1856 10.3289 numMergedOcc 0
16 mol 156 unq 0 iso 0 dist 8.32841 10.9993 9.00416 13.4683 6.05323 8.31653 numMergedOcc 0
17 mol 156 unq 1 iso 0 dist 6.56065 4.75264 9.00416 6.29454 6.05323 8.31653 numMergedOcc 0
18 mol 156 unq 2 iso 0 dist 6.40435 11.0374 9.44367 5.32985 5.81122 7.29758 numMergedOcc 0
19 mol 156 unq 3 iso 0 dist 6.40435 9.75709 7.90267 5.32985 5.81122 8.67156 numMergedOcc 0
20 mol 168 unq 0 iso 0 dist 8.30857 7.26802 7.44629 5.09374 7.60254 8.67522 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 9.99409 5.114 8.90963 10.168 5.95304 8.25067 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 5.25309 7.07865 5.94469 6.09218 7.05653 6.7991 numMergedOcc 0
23 mol 226 unq 0 iso 0 dist 7.57964 5.13565 9.83827 10.2029 8.1931 8.77858 numMergedOcc 0
24 mol 226 unq 1 iso 0 dist 6.95495 8.19889 9.83827 12.1713 8.1931 8.77858 numMergedOcc 0
25 mol 227 unq 0 iso 0 dist 6.65275 5.841 5.41321 10.2228 7.57454 6.43754 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 8.52162 11.6549 8.94014 13.4787 7.04753 10.8635 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 8.52162 12.9109 7.02333 13.4787 7.04753 5.68826 numMergedOcc 0
28 mol 238 unq 2 iso 0 dist 8.52162 12.3128 8.67864 13.4787 7.04753 4.87097 numMergedOcc 0
29 mol 271 unq 0 iso 0 dist 8.7861 13.7565 8.98576 10.6944 5.81266 6.78222 numMergedOcc 0
30 mol 271 unq 1 iso 0 dist 8.7861 8.68222 8.92636 10.6944 5.81266 6.20098 numMergedOcc 0
