0 mol 8 unq 0 iso 0 dist 9.73496 8.82216 8.80278 8.99663 8.6405 5.95206 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 7.63146 6.14982 6.4095 6.0074 8.91017 10.0371 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.66616 5.1218 8.41008 8.90733 6.80822 8.01293 numMergedOcc 0
3 mol 102 unq 0 iso 0 dist 6.7095 10.2573 6.37194 6.87786 6.793 7.23906 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 7.11102 7.91188 7.82151 5.42714 9.99454 5.80406 numMergedOcc 0
5 mol 130 unq 0 iso 0 dist 8.65807 10.9875 6.5114 9.17181 6.26422 6.47346 numMergedOcc 0
6 mol 187 unq 0 iso 0 dist 9.55621 5.27509 5.26804 13.4754 6.56642 8.40049 numMergedOcc 0
7 mol 187 unq 1 iso 0 dist 9.55621 5.27509 5.26804 5.11961 7.9625 4.8403 numMergedOcc 0
8 mol 189 unq 0 iso 0 dist 6.77351 10.3814 8.81184 5.73928 7.65477 5.79318 numMergedOcc 0
9 mol 189 unq 1 iso 0 dist 6.77351 10.3814 8.81184 7.24071 8.2926 4.88868 numMergedOcc 0
10 mol 189 unq 2 iso 0 dist 6.77351 10.3814 8.81184 9.17194 9.31713 10.78 numMergedOcc 0
11 mol 189 unq 3 iso 0 dist 8.4676 16.383 8.81184 13.1851 7.65477 5.79318 numMergedOcc 0
12 mol 189 unq 4 iso 0 dist 8.4676 16.383 8.81184 13.7587 8.2926 4.88868 numMergedOcc 0
13 mol 189 unq 5 iso 0 dist 8.4676 16.383 8.81184 14.0451 9.31713 10.78 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 6.58174 8.01881 7.5696 4.71843 9.01377 6.22751 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 5.99718 4.55979 7.42784 7.59322 8.89838 10.0489 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 5.99718 6.35303 6.11123 7.59322 8.89838 6.17151 numMergedOcc 0
17 mol 226 unq 0 iso 0 dist 6.3687 7.95454 7.6174 11.8345 7.45381 10.5991 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 8.32703 12.1436 9.09371 5.66663 6.20188 13.9486 numMergedOcc 0
19 mol 227 unq 1 iso 0 dist 8.32703 12.1436 9.09371 11.0954 9.47836 18.05 numMergedOcc 0
20 mol 227 unq 2 iso 0 dist 8.25412 14.3715 9.09371 5.52296 6.20188 13.9486 numMergedOcc 0
21 mol 227 unq 3 iso 0 dist 8.25412 14.3715 9.09371 6.32385 9.47836 18.05 numMergedOcc 0
22 mol 285 unq 0 iso 0 dist 4.49395 12.8183 8.73607 12.0595 7.61398 4.58893 numMergedOcc 0
